---
_id: '28942'
author:
- first_name: Christian
  full_name: Wecker, Christian
  id: '29891'
  last_name: Wecker
- first_name: Andreas Markus
  full_name: Schulz, Andreas Markus
  id: '63109'
  last_name: Schulz
- first_name: Jens
  full_name: Heine, Jens
  last_name: Heine
- first_name: Hans Jörg
  full_name: Bart, Hans Jörg
  last_name: Bart
- first_name: Eugeny Y.
  full_name: Kenig, Eugeny Y.
  id: '665'
  last_name: Kenig
citation:
  ama: Wecker C, Schulz AM, Heine J, Bart HJ, Kenig EY. Droplet formation –a numerical
    investigation of liquid-liquid systems with consideration of Marangoni convection.
    <i>International Journal of Heat and Mass Transfer</i>. 2022;188. doi:<a href="https://doi.org/10.1016/j.ijheatmasstransfer.2021.122465">10.1016/j.ijheatmasstransfer.2021.122465</a>
  apa: Wecker, C., Schulz, A. M., Heine, J., Bart, H. J., &#38; Kenig, E. Y. (2022).
    Droplet formation –a numerical investigation of liquid-liquid systems with consideration
    of Marangoni convection. <i>International Journal of Heat and Mass Transfer</i>,
    <i>188</i>. <a href="https://doi.org/10.1016/j.ijheatmasstransfer.2021.122465">https://doi.org/10.1016/j.ijheatmasstransfer.2021.122465</a>
  bibtex: '@article{Wecker_Schulz_Heine_Bart_Kenig_2022, title={Droplet formation
    –a numerical investigation of liquid-liquid systems with consideration of Marangoni
    convection}, volume={188}, DOI={<a href="https://doi.org/10.1016/j.ijheatmasstransfer.2021.122465">10.1016/j.ijheatmasstransfer.2021.122465</a>},
    journal={International Journal of Heat and Mass Transfer}, publisher={ELSEVIER},
    author={Wecker, Christian and Schulz, Andreas Markus and Heine, Jens and Bart,
    Hans Jörg and Kenig, Eugeny Y.}, year={2022} }'
  chicago: Wecker, Christian, Andreas Markus Schulz, Jens Heine, Hans Jörg Bart, and
    Eugeny Y. Kenig. “Droplet Formation –a Numerical Investigation of Liquid-Liquid
    Systems with Consideration of Marangoni Convection.” <i>International Journal
    of Heat and Mass Transfer</i> 188 (2022). <a href="https://doi.org/10.1016/j.ijheatmasstransfer.2021.122465">https://doi.org/10.1016/j.ijheatmasstransfer.2021.122465</a>.
  ieee: 'C. Wecker, A. M. Schulz, J. Heine, H. J. Bart, and E. Y. Kenig, “Droplet
    formation –a numerical investigation of liquid-liquid systems with consideration
    of Marangoni convection,” <i>International Journal of Heat and Mass Transfer</i>,
    vol. 188, 2022, doi: <a href="https://doi.org/10.1016/j.ijheatmasstransfer.2021.122465">10.1016/j.ijheatmasstransfer.2021.122465</a>.'
  mla: Wecker, Christian, et al. “Droplet Formation –a Numerical Investigation of
    Liquid-Liquid Systems with Consideration of Marangoni Convection.” <i>International
    Journal of Heat and Mass Transfer</i>, vol. 188, ELSEVIER, 2022, doi:<a href="https://doi.org/10.1016/j.ijheatmasstransfer.2021.122465">10.1016/j.ijheatmasstransfer.2021.122465</a>.
  short: C. Wecker, A.M. Schulz, J. Heine, H.J. Bart, E.Y. Kenig, International Journal
    of Heat and Mass Transfer 188 (2022).
date_created: 2021-12-15T11:14:48Z
date_updated: 2023-04-27T15:28:14Z
department:
- _id: '145'
doi: 10.1016/j.ijheatmasstransfer.2021.122465
intvolume: '       188'
language:
- iso: eng
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: International Journal of Heat and Mass Transfer
publication_status: published
publisher: ELSEVIER
quality_controlled: '1'
status: public
title: Droplet formation –a numerical investigation of liquid-liquid systems with
  consideration of Marangoni convection
type: journal_article
user_id: '90390'
volume: 188
year: '2022'
...
---
_id: '44235'
article_number: '1110066'
author:
- first_name: Venkatesh
  full_name: Inguva, Venkatesh
  id: '75069'
  last_name: Inguva
- first_name: Eugeny Y.
  full_name: Kenig, Eugeny Y.
  id: '665'
  last_name: Kenig
- first_name: J. Blair
  full_name: Perot, J. Blair
  last_name: Perot
citation:
  ama: Inguva V, Kenig EY, Perot JB. A front-tracking method for two-phase flow simulation
    with no spurious currents. <i>Journal of Computational Physics</i>. 2022;456.
  apa: Inguva, V., Kenig, E. Y., &#38; Perot, J. B. (2022). A front-tracking method
    for two-phase flow simulation with no spurious currents. <i>Journal of Computational
    Physics</i>, <i>456</i>, Article 1110066.
  bibtex: '@article{Inguva_Kenig_Perot_2022, title={A front-tracking method for two-phase
    flow simulation with no spurious currents}, volume={456}, number={1110066}, journal={Journal
    of Computational Physics}, publisher={Elsevier}, author={Inguva, Venkatesh and
    Kenig, Eugeny Y. and Perot, J. Blair}, year={2022} }'
  chicago: Inguva, Venkatesh, Eugeny Y. Kenig, and J. Blair Perot. “A Front-Tracking
    Method for Two-Phase Flow Simulation with No Spurious Currents.” <i>Journal of
    Computational Physics</i> 456 (2022).
  ieee: V. Inguva, E. Y. Kenig, and J. B. Perot, “A front-tracking method for two-phase
    flow simulation with no spurious currents,” <i>Journal of Computational Physics</i>,
    vol. 456, Art. no. 1110066, 2022.
  mla: Inguva, Venkatesh, et al. “A Front-Tracking Method for Two-Phase Flow Simulation
    with No Spurious Currents.” <i>Journal of Computational Physics</i>, vol. 456,
    1110066, Elsevier, 2022.
  short: V. Inguva, E.Y. Kenig, J.B. Perot, Journal of Computational Physics 456 (2022).
date_created: 2023-04-27T15:58:12Z
date_updated: 2023-04-27T16:09:55Z
department:
- _id: '145'
intvolume: '       456'
language:
- iso: eng
project:
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Journal of Computational Physics
publication_status: published
publisher: Elsevier
quality_controlled: '1'
status: public
title: A front-tracking method for two-phase flow simulation with no spurious currents
type: journal_article
user_id: '90390'
volume: 456
year: '2022'
...
---
_id: '30591'
article_number: '117414'
author:
- first_name: René
  full_name: Bertling, René
  id: '30050'
  last_name: Bertling
- first_name: M.
  full_name: Hack, M.
  last_name: Hack
- first_name: I.
  full_name: Ausner, I.
  last_name: Ausner
- first_name: B.
  full_name: Horschitz, B.
  last_name: Horschitz
- first_name: Sören Antonius
  full_name: Bernemann, Sören Antonius
  id: '70108'
  last_name: Bernemann
- first_name: Eugeny
  full_name: Kenig, Eugeny
  id: '665'
  last_name: Kenig
citation:
  ama: Bertling R, Hack M, Ausner I, Horschitz B, Bernemann SA, Kenig E. Modelling
    film and rivulet flows on microstructured surfaces using CFD methods. <i>Chemical
    Engineering Science</i>. 2022;251. doi:<a href="https://doi.org/10.1016/j.ces.2021.117414">10.1016/j.ces.2021.117414</a>
  apa: Bertling, R., Hack, M., Ausner, I., Horschitz, B., Bernemann, S. A., &#38;
    Kenig, E. (2022). Modelling film and rivulet flows on microstructured surfaces
    using CFD methods. <i>Chemical Engineering Science</i>, <i>251</i>, Article 117414.
    <a href="https://doi.org/10.1016/j.ces.2021.117414">https://doi.org/10.1016/j.ces.2021.117414</a>
  bibtex: '@article{Bertling_Hack_Ausner_Horschitz_Bernemann_Kenig_2022, title={Modelling
    film and rivulet flows on microstructured surfaces using CFD methods}, volume={251},
    DOI={<a href="https://doi.org/10.1016/j.ces.2021.117414">10.1016/j.ces.2021.117414</a>},
    number={117414}, journal={Chemical Engineering Science}, publisher={Elsevier BV},
    author={Bertling, René and Hack, M. and Ausner, I. and Horschitz, B. and Bernemann,
    Sören Antonius and Kenig, Eugeny}, year={2022} }'
  chicago: Bertling, René, M. Hack, I. Ausner, B. Horschitz, Sören Antonius Bernemann,
    and Eugeny Kenig. “Modelling Film and Rivulet Flows on Microstructured Surfaces
    Using CFD Methods.” <i>Chemical Engineering Science</i> 251 (2022). <a href="https://doi.org/10.1016/j.ces.2021.117414">https://doi.org/10.1016/j.ces.2021.117414</a>.
  ieee: 'R. Bertling, M. Hack, I. Ausner, B. Horschitz, S. A. Bernemann, and E. Kenig,
    “Modelling film and rivulet flows on microstructured surfaces using CFD methods,”
    <i>Chemical Engineering Science</i>, vol. 251, Art. no. 117414, 2022, doi: <a
    href="https://doi.org/10.1016/j.ces.2021.117414">10.1016/j.ces.2021.117414</a>.'
  mla: Bertling, René, et al. “Modelling Film and Rivulet Flows on Microstructured
    Surfaces Using CFD Methods.” <i>Chemical Engineering Science</i>, vol. 251, 117414,
    Elsevier BV, 2022, doi:<a href="https://doi.org/10.1016/j.ces.2021.117414">10.1016/j.ces.2021.117414</a>.
  short: R. Bertling, M. Hack, I. Ausner, B. Horschitz, S.A. Bernemann, E. Kenig,
    Chemical Engineering Science 251 (2022).
date_created: 2022-03-28T07:26:33Z
date_updated: 2023-05-01T07:53:08Z
department:
- _id: '9'
- _id: '145'
doi: 10.1016/j.ces.2021.117414
intvolume: '       251'
keyword:
- Applied Mathematics
- Industrial and Manufacturing Engineering
- General Chemical Engineering
- General Chemistry
language:
- iso: eng
project:
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Chemical Engineering Science
publication_identifier:
  issn:
  - 0009-2509
publication_status: published
publisher: Elsevier BV
quality_controlled: '1'
status: public
title: Modelling film and rivulet flows on microstructured surfaces using CFD methods
type: journal_article
user_id: '30050'
volume: 251
year: '2022'
...
---
_id: '33739'
abstract:
- lang: eng
  text: At least 5% of questions submitted to search engines ask about cause-effect
    relationships in some way. To support the development of tailored approaches that
    can answer such questions, we construct Webis-CausalQA-22, a benchmark corpus
    of 1.1 million causal questions with answers. We distinguish different types of
    causal questions using a novel typology derived from a data-driven, manual analysis
    of questions from ten large question answering (QA) datasets. Using high-precision
    lexical rules, we extract causal questions of each type from these datasets to
    create our corpus. As an initial baseline, the state-of-the-art QA model UnifiedQA
    achieves a ROUGE-L F1 score of 0.48 on our new benchmark.
author:
- first_name: Alexander
  full_name: Bondarenko, Alexander
  last_name: Bondarenko
- first_name: Magdalena
  full_name: Wolska, Magdalena
  last_name: Wolska
- first_name: Stefan
  full_name: Heindorf, Stefan
  id: '11871'
  last_name: Heindorf
  orcid: 0000-0002-4525-6865
- first_name: Lukas
  full_name: Blübaum, Lukas
  last_name: Blübaum
- first_name: Axel-Cyrille
  full_name: Ngonga Ngomo, Axel-Cyrille
  id: '65716'
  last_name: Ngonga Ngomo
- first_name: Benno
  full_name: Stein, Benno
  last_name: Stein
- first_name: Pavel
  full_name: Braslavski, Pavel
  last_name: Braslavski
- first_name: Matthias
  full_name: Hagen, Matthias
  last_name: Hagen
- first_name: Martin
  full_name: Potthast, Martin
  last_name: Potthast
citation:
  ama: 'Bondarenko A, Wolska M, Heindorf S, et al. CausalQA: A Benchmark for Causal
    Question Answering. In: <i>Proceedings of the 29th International Conference on
    Computational Linguistics</i>. International Committee on Computational Linguistics;
    2022:3296–3308.'
  apa: 'Bondarenko, A., Wolska, M., Heindorf, S., Blübaum, L., Ngonga Ngomo, A.-C.,
    Stein, B., Braslavski, P., Hagen, M., &#38; Potthast, M. (2022). CausalQA: A Benchmark
    for Causal Question Answering. <i>Proceedings of the 29th International Conference
    on Computational Linguistics</i>, 3296–3308.'
  bibtex: '@inproceedings{Bondarenko_Wolska_Heindorf_Blübaum_Ngonga Ngomo_Stein_Braslavski_Hagen_Potthast_2022,
    place={Gyeongju, Republic of Korea}, title={CausalQA: A Benchmark for Causal Question
    Answering}, booktitle={Proceedings of the 29th International Conference on Computational
    Linguistics}, publisher={International Committee on Computational Linguistics},
    author={Bondarenko, Alexander and Wolska, Magdalena and Heindorf, Stefan and Blübaum,
    Lukas and Ngonga Ngomo, Axel-Cyrille and Stein, Benno and Braslavski, Pavel and
    Hagen, Matthias and Potthast, Martin}, year={2022}, pages={3296–3308} }'
  chicago: 'Bondarenko, Alexander, Magdalena Wolska, Stefan Heindorf, Lukas Blübaum,
    Axel-Cyrille Ngonga Ngomo, Benno Stein, Pavel Braslavski, Matthias Hagen, and
    Martin Potthast. “CausalQA: A Benchmark for Causal Question Answering.” In <i>Proceedings
    of the 29th International Conference on Computational Linguistics</i>, 3296–3308.
    Gyeongju, Republic of Korea: International Committee on Computational Linguistics,
    2022.'
  ieee: 'A. Bondarenko <i>et al.</i>, “CausalQA: A Benchmark for Causal Question Answering,”
    in <i>Proceedings of the 29th International Conference on Computational Linguistics</i>,
    2022, pp. 3296–3308.'
  mla: 'Bondarenko, Alexander, et al. “CausalQA: A Benchmark for Causal Question Answering.”
    <i>Proceedings of the 29th International Conference on Computational Linguistics</i>,
    International Committee on Computational Linguistics, 2022, pp. 3296–3308.'
  short: 'A. Bondarenko, M. Wolska, S. Heindorf, L. Blübaum, A.-C. Ngonga Ngomo, B.
    Stein, P. Braslavski, M. Hagen, M. Potthast, in: Proceedings of the 29th International
    Conference on Computational Linguistics, International Committee on Computational
    Linguistics, Gyeongju, Republic of Korea, 2022, pp. 3296–3308.'
date_created: 2022-10-15T19:33:10Z
date_updated: 2023-07-02T18:14:01Z
department:
- _id: '574'
- _id: '760'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://aclanthology.org/2022.coling-1.291.pdf
oa: '1'
page: 3296–3308
place: Gyeongju, Republic of Korea
project:
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Proceedings of the 29th International Conference on Computational Linguistics
publisher: International Committee on Computational Linguistics
status: public
title: 'CausalQA: A Benchmark for Causal Question Answering'
type: conference
user_id: '11871'
year: '2022'
...
---
_id: '33493'
abstract:
- lang: eng
  text: "Electronic structure calculations have been instrumental in providing many\r\nimportant
    insights into a range of physical and chemical properties of various\r\nmolecular
    and solid-state systems. Their importance to various fields,\r\nincluding materials
    science, chemical sciences, computational chemistry and\r\ndevice physics, is
    underscored by the large fraction of available public\r\nsupercomputing resources
    devoted to these calculations. As we enter the\r\nexascale era, exciting new opportunities
    to increase simulation numbers, sizes,\r\nand accuracies present themselves. In
    order to realize these promises, the\r\ncommunity of electronic structure software
    developers will however first have\r\nto tackle a number of challenges pertaining
    to the efficient use of new\r\narchitectures that will rely heavily on massive
    parallelism and hardware\r\naccelerators. This roadmap provides a broad overview
    of the state-of-the-art in\r\nelectronic structure calculations and of the various
    new directions being\r\npursued by the community. It covers 14 electronic structure
    codes, presenting\r\ntheir current status, their development priorities over the
    next five years,\r\nand their plans towards tackling the challenges and leveraging
    the\r\nopportunities presented by the advent of exascale computing."
author:
- first_name: Vikram
  full_name: Gavini, Vikram
  last_name: Gavini
- first_name: Stefano
  full_name: Baroni, Stefano
  last_name: Baroni
- first_name: Volker
  full_name: Blum, Volker
  last_name: Blum
- first_name: David R.
  full_name: Bowler, David R.
  last_name: Bowler
- first_name: Alexander
  full_name: Buccheri, Alexander
  last_name: Buccheri
- first_name: James R.
  full_name: Chelikowsky, James R.
  last_name: Chelikowsky
- first_name: Sambit
  full_name: Das, Sambit
  last_name: Das
- first_name: William
  full_name: Dawson, William
  last_name: Dawson
- first_name: Pietro
  full_name: Delugas, Pietro
  last_name: Delugas
- first_name: Mehmet
  full_name: Dogan, Mehmet
  last_name: Dogan
- first_name: Claudia
  full_name: Draxl, Claudia
  last_name: Draxl
- first_name: Giulia
  full_name: Galli, Giulia
  last_name: Galli
- first_name: Luigi
  full_name: Genovese, Luigi
  last_name: Genovese
- first_name: Paolo
  full_name: Giannozzi, Paolo
  last_name: Giannozzi
- first_name: Matteo
  full_name: Giantomassi, Matteo
  last_name: Giantomassi
- first_name: Xavier
  full_name: Gonze, Xavier
  last_name: Gonze
- first_name: Marco
  full_name: Govoni, Marco
  last_name: Govoni
- first_name: Andris
  full_name: Gulans, Andris
  last_name: Gulans
- first_name: François
  full_name: Gygi, François
  last_name: Gygi
- first_name: John M.
  full_name: Herbert, John M.
  last_name: Herbert
- first_name: Sebastian
  full_name: Kokott, Sebastian
  last_name: Kokott
- first_name: Thomas
  full_name: Kühne, Thomas
  id: '49079'
  last_name: Kühne
- first_name: Kai-Hsin
  full_name: Liou, Kai-Hsin
  last_name: Liou
- first_name: Tsuyoshi
  full_name: Miyazaki, Tsuyoshi
  last_name: Miyazaki
- first_name: Phani
  full_name: Motamarri, Phani
  last_name: Motamarri
- first_name: Ayako
  full_name: Nakata, Ayako
  last_name: Nakata
- first_name: John E.
  full_name: Pask, John E.
  last_name: Pask
- first_name: Christian
  full_name: Plessl, Christian
  id: '16153'
  last_name: Plessl
  orcid: 0000-0001-5728-9982
- first_name: Laura E.
  full_name: Ratcliff, Laura E.
  last_name: Ratcliff
- first_name: Ryan M.
  full_name: Richard, Ryan M.
  last_name: Richard
- first_name: Mariana
  full_name: Rossi, Mariana
  last_name: Rossi
- first_name: Robert
  full_name: Schade, Robert
  id: '75963'
  last_name: Schade
  orcid: 0000-0002-6268-539
- first_name: Matthias
  full_name: Scheffler, Matthias
  last_name: Scheffler
- first_name: Ole
  full_name: Schütt, Ole
  last_name: Schütt
- first_name: Phanish
  full_name: Suryanarayana, Phanish
  last_name: Suryanarayana
- first_name: Marc
  full_name: Torrent, Marc
  last_name: Torrent
- first_name: Lionel
  full_name: Truflandier, Lionel
  last_name: Truflandier
- first_name: Theresa L.
  full_name: Windus, Theresa L.
  last_name: Windus
- first_name: Qimen
  full_name: Xu, Qimen
  last_name: Xu
- first_name: Victor W. -Z.
  full_name: Yu, Victor W. -Z.
  last_name: Yu
- first_name: Danny
  full_name: Perez, Danny
  last_name: Perez
citation:
  ama: Gavini V, Baroni S, Blum V, et al. Roadmap on Electronic Structure Codes in
    the Exascale Era. <i>arXiv:220912747</i>. Published online 2022.
  apa: Gavini, V., Baroni, S., Blum, V., Bowler, D. R., Buccheri, A., Chelikowsky,
    J. R., Das, S., Dawson, W., Delugas, P., Dogan, M., Draxl, C., Galli, G., Genovese,
    L., Giannozzi, P., Giantomassi, M., Gonze, X., Govoni, M., Gulans, A., Gygi, F.,
    … Perez, D. (2022). Roadmap on Electronic Structure Codes in the Exascale Era.
    In <i>arXiv:2209.12747</i>.
  bibtex: '@article{Gavini_Baroni_Blum_Bowler_Buccheri_Chelikowsky_Das_Dawson_Delugas_Dogan_et
    al._2022, title={Roadmap on Electronic Structure Codes in the Exascale Era}, journal={arXiv:2209.12747},
    author={Gavini, Vikram and Baroni, Stefano and Blum, Volker and Bowler, David
    R. and Buccheri, Alexander and Chelikowsky, James R. and Das, Sambit and Dawson,
    William and Delugas, Pietro and Dogan, Mehmet and et al.}, year={2022} }'
  chicago: Gavini, Vikram, Stefano Baroni, Volker Blum, David R. Bowler, Alexander
    Buccheri, James R. Chelikowsky, Sambit Das, et al. “Roadmap on Electronic Structure
    Codes in the Exascale Era.” <i>ArXiv:2209.12747</i>, 2022.
  ieee: V. Gavini <i>et al.</i>, “Roadmap on Electronic Structure Codes in the Exascale
    Era,” <i>arXiv:2209.12747</i>. 2022.
  mla: Gavini, Vikram, et al. “Roadmap on Electronic Structure Codes in the Exascale
    Era.” <i>ArXiv:2209.12747</i>, 2022.
  short: V. Gavini, S. Baroni, V. Blum, D.R. Bowler, A. Buccheri, J.R. Chelikowsky,
    S. Das, W. Dawson, P. Delugas, M. Dogan, C. Draxl, G. Galli, L. Genovese, P. Giannozzi,
    M. Giantomassi, X. Gonze, M. Govoni, A. Gulans, F. Gygi, J.M. Herbert, S. Kokott,
    T. Kühne, K.-H. Liou, T. Miyazaki, P. Motamarri, A. Nakata, J.E. Pask, C. Plessl,
    L.E. Ratcliff, R.M. Richard, M. Rossi, R. Schade, M. Scheffler, O. Schütt, P.
    Suryanarayana, M. Torrent, L. Truflandier, T.L. Windus, Q. Xu, V.W.-Z. Yu, D.
    Perez, ArXiv:2209.12747 (2022).
date_created: 2022-09-28T05:25:10Z
date_updated: 2023-07-28T08:03:41Z
department:
- _id: '27'
- _id: '518'
external_id:
  arxiv:
  - '2209.12747'
language:
- iso: eng
project:
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: arXiv:2209.12747
status: public
title: Roadmap on Electronic Structure Codes in the Exascale Era
type: preprint
user_id: '24135'
year: '2022'
...
---
_id: '46193'
author:
- first_name: Martin
  full_name: Karp, Martin
  last_name: Karp
- first_name: Artur
  full_name: Podobas, Artur
  last_name: Podobas
- first_name: Tobias
  full_name: Kenter, Tobias
  id: '3145'
  last_name: Kenter
- first_name: Niclas
  full_name: Jansson, Niclas
  last_name: Jansson
- first_name: Christian
  full_name: Plessl, Christian
  id: '16153'
  last_name: Plessl
  orcid: 0000-0001-5728-9982
- first_name: Philipp
  full_name: Schlatter, Philipp
  last_name: Schlatter
- first_name: Stefano
  full_name: Markidis, Stefano
  last_name: Markidis
citation:
  ama: 'Karp M, Podobas A, Kenter T, et al. A High-Fidelity Flow Solver for Unstructured
    Meshes on Field-Programmable Gate Arrays: Design, Evaluation, and Future Challenges.
    In: <i>International Conference on High Performance Computing in Asia-Pacific
    Region</i>. ACM; 2022. doi:<a href="https://doi.org/10.1145/3492805.3492808">10.1145/3492805.3492808</a>'
  apa: 'Karp, M., Podobas, A., Kenter, T., Jansson, N., Plessl, C., Schlatter, P.,
    &#38; Markidis, S. (2022). A High-Fidelity Flow Solver for Unstructured Meshes
    on Field-Programmable Gate Arrays: Design, Evaluation, and Future Challenges.
    <i>International Conference on High Performance Computing in Asia-Pacific Region</i>.
    <a href="https://doi.org/10.1145/3492805.3492808">https://doi.org/10.1145/3492805.3492808</a>'
  bibtex: '@inproceedings{Karp_Podobas_Kenter_Jansson_Plessl_Schlatter_Markidis_2022,
    title={A High-Fidelity Flow Solver for Unstructured Meshes on Field-Programmable
    Gate Arrays: Design, Evaluation, and Future Challenges}, DOI={<a href="https://doi.org/10.1145/3492805.3492808">10.1145/3492805.3492808</a>},
    booktitle={International Conference on High Performance Computing in Asia-Pacific
    Region}, publisher={ACM}, author={Karp, Martin and Podobas, Artur and Kenter,
    Tobias and Jansson, Niclas and Plessl, Christian and Schlatter, Philipp and Markidis,
    Stefano}, year={2022} }'
  chicago: 'Karp, Martin, Artur Podobas, Tobias Kenter, Niclas Jansson, Christian
    Plessl, Philipp Schlatter, and Stefano Markidis. “A High-Fidelity Flow Solver
    for Unstructured Meshes on Field-Programmable Gate Arrays: Design, Evaluation,
    and Future Challenges.” In <i>International Conference on High Performance Computing
    in Asia-Pacific Region</i>. ACM, 2022. <a href="https://doi.org/10.1145/3492805.3492808">https://doi.org/10.1145/3492805.3492808</a>.'
  ieee: 'M. Karp <i>et al.</i>, “A High-Fidelity Flow Solver for Unstructured Meshes
    on Field-Programmable Gate Arrays: Design, Evaluation, and Future Challenges,”
    2022, doi: <a href="https://doi.org/10.1145/3492805.3492808">10.1145/3492805.3492808</a>.'
  mla: 'Karp, Martin, et al. “A High-Fidelity Flow Solver for Unstructured Meshes
    on Field-Programmable Gate Arrays: Design, Evaluation, and Future Challenges.”
    <i>International Conference on High Performance Computing in Asia-Pacific Region</i>,
    ACM, 2022, doi:<a href="https://doi.org/10.1145/3492805.3492808">10.1145/3492805.3492808</a>.'
  short: 'M. Karp, A. Podobas, T. Kenter, N. Jansson, C. Plessl, P. Schlatter, S.
    Markidis, in: International Conference on High Performance Computing in Asia-Pacific
    Region, ACM, 2022.'
date_created: 2023-07-28T11:51:55Z
date_updated: 2023-07-28T11:53:15Z
department:
- _id: '27'
- _id: '518'
doi: 10.1145/3492805.3492808
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://dl.acm.org/doi/pdf/10.1145/3492805.3492808
oa: '1'
project:
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: International Conference on High Performance Computing in Asia-Pacific
  Region
publication_status: published
publisher: ACM
quality_controlled: '1'
status: public
title: 'A High-Fidelity Flow Solver for Unstructured Meshes on Field-Programmable
  Gate Arrays: Design, Evaluation, and Future Challenges'
type: conference
user_id: '3145'
year: '2022'
...
---
_id: '32404'
abstract:
- lang: eng
  text: "The CP2K program package, which can be considered as the swiss army knife
    of\r\natomistic simulations, is presented with a special emphasis on ab-initio\r\nmolecular
    dynamics using the second-generation Car-Parrinello method. After\r\noutlining
    current and near-term development efforts with regards to massively\r\nparallel
    low-scaling post-Hartree-Fock and eigenvalue solvers, novel approaches\r\non how
    we plan to take full advantage of future low-precision hardware\r\narchitectures
    are introduced. Our focus here is on combining our submatrix\r\nmethod with the
    approximate computing paradigm to address the immanent exascale\r\nera."
author:
- first_name: Thomas
  full_name: Kühne, Thomas
  id: '49079'
  last_name: Kühne
- first_name: Christian
  full_name: Plessl, Christian
  id: '16153'
  last_name: Plessl
  orcid: 0000-0001-5728-9982
- first_name: Robert
  full_name: Schade, Robert
  id: '75963'
  last_name: Schade
  orcid: 0000-0002-6268-539
- first_name: Ole
  full_name: Schütt, Ole
  last_name: Schütt
citation:
  ama: Kühne T, Plessl C, Schade R, Schütt O. CP2K on the road to exascale. <i>arXiv:220514741</i>.
    Published online 2022.
  apa: Kühne, T., Plessl, C., Schade, R., &#38; Schütt, O. (2022). CP2K on the road
    to exascale. In <i>arXiv:2205.14741</i>.
  bibtex: '@article{Kühne_Plessl_Schade_Schütt_2022, title={CP2K on the road to exascale},
    journal={arXiv:2205.14741}, author={Kühne, Thomas and Plessl, Christian and Schade,
    Robert and Schütt, Ole}, year={2022} }'
  chicago: Kühne, Thomas, Christian Plessl, Robert Schade, and Ole Schütt. “CP2K on
    the Road to Exascale.” <i>ArXiv:2205.14741</i>, 2022.
  ieee: T. Kühne, C. Plessl, R. Schade, and O. Schütt, “CP2K on the road to exascale,”
    <i>arXiv:2205.14741</i>. 2022.
  mla: Kühne, Thomas, et al. “CP2K on the Road to Exascale.” <i>ArXiv:2205.14741</i>,
    2022.
  short: T. Kühne, C. Plessl, R. Schade, O. Schütt, ArXiv:2205.14741 (2022).
date_created: 2022-07-22T08:14:08Z
date_updated: 2023-08-02T14:55:35Z
department:
- _id: '27'
- _id: '518'
- _id: '304'
external_id:
  arxiv:
  - '2205.14741'
language:
- iso: eng
main_file_link:
- url: https://arxiv.org/abs/2205.14741
project:
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: arXiv:2205.14741
status: public
title: CP2K on the road to exascale
type: preprint
user_id: '75963'
year: '2022'
...
---
_id: '33226'
abstract:
- lang: eng
  text: A parallel hybrid quantum-classical algorithm for the solution of the quantum-chemical
    ground-state energy problem on gate-based quantum computers is presented. This
    approach is based on the reduced density-matrix functional theory (RDMFT) formulation
    of the electronic structure problem. For that purpose, the density-matrix functional
    of the full system is decomposed into an indirectly coupled sum of density-matrix
    functionals for all its subsystems using the adaptive cluster approximation to
    RDMFT. The approximations involved in the decomposition and the adaptive cluster
    approximation itself can be systematically converged to the exact result. The
    solutions for the density-matrix functionals of the effective subsystems involves
    a constrained minimization over many-particle states that are approximated by
    parametrized trial states on the quantum computer similarly to the variational
    quantum eigensolver. The independence of the density-matrix functionals of the
    effective subsystems introduces a new level of parallelization and allows for
    the computational treatment of much larger molecules on a quantum computer with
    a given qubit count. In addition, for the proposed algorithm techniques are presented
    to reduce the qubit count, the number of quantum programs, as well as its depth.
    The evaluation of a density-matrix functional as the essential part of our approach
    is demonstrated for Hubbard-like systems on IBM quantum computers based on superconducting
    transmon qubits.
article_type: original
author:
- first_name: Robert
  full_name: Schade, Robert
  id: '75963'
  last_name: Schade
  orcid: 0000-0002-6268-539
- first_name: Carsten
  full_name: Bauer, Carsten
  id: '90082'
  last_name: Bauer
- first_name: Konstantin
  full_name: Tamoev, Konstantin
  id: '50177'
  last_name: Tamoev
- first_name: Lukas
  full_name: Mazur, Lukas
  id: '90492'
  last_name: Mazur
  orcid: ' 0000-0001-6304-7082'
- first_name: Christian
  full_name: Plessl, Christian
  id: '16153'
  last_name: Plessl
  orcid: 0000-0001-5728-9982
- first_name: Thomas
  full_name: Kühne, Thomas
  id: '49079'
  last_name: Kühne
citation:
  ama: Schade R, Bauer C, Tamoev K, Mazur L, Plessl C, Kühne T. Parallel quantum chemistry
    on noisy intermediate-scale quantum computers. <i>Phys Rev Research</i>. 2022;4:033160.
    doi:<a href="https://doi.org/10.1103/PhysRevResearch.4.033160">10.1103/PhysRevResearch.4.033160</a>
  apa: Schade, R., Bauer, C., Tamoev, K., Mazur, L., Plessl, C., &#38; Kühne, T. (2022).
    Parallel quantum chemistry on noisy intermediate-scale quantum computers. <i>Phys.
    Rev. Research</i>, <i>4</i>, 033160. <a href="https://doi.org/10.1103/PhysRevResearch.4.033160">https://doi.org/10.1103/PhysRevResearch.4.033160</a>
  bibtex: '@article{Schade_Bauer_Tamoev_Mazur_Plessl_Kühne_2022, title={Parallel quantum
    chemistry on noisy intermediate-scale quantum computers}, volume={4}, DOI={<a
    href="https://doi.org/10.1103/PhysRevResearch.4.033160">10.1103/PhysRevResearch.4.033160</a>},
    journal={Phys. Rev. Research}, publisher={American Physical Society}, author={Schade,
    Robert and Bauer, Carsten and Tamoev, Konstantin and Mazur, Lukas and Plessl,
    Christian and Kühne, Thomas}, year={2022}, pages={033160} }'
  chicago: 'Schade, Robert, Carsten Bauer, Konstantin Tamoev, Lukas Mazur, Christian
    Plessl, and Thomas Kühne. “Parallel Quantum Chemistry on Noisy Intermediate-Scale
    Quantum Computers.” <i>Phys. Rev. Research</i> 4 (2022): 033160. <a href="https://doi.org/10.1103/PhysRevResearch.4.033160">https://doi.org/10.1103/PhysRevResearch.4.033160</a>.'
  ieee: 'R. Schade, C. Bauer, K. Tamoev, L. Mazur, C. Plessl, and T. Kühne, “Parallel
    quantum chemistry on noisy intermediate-scale quantum computers,” <i>Phys. Rev.
    Research</i>, vol. 4, p. 033160, 2022, doi: <a href="https://doi.org/10.1103/PhysRevResearch.4.033160">10.1103/PhysRevResearch.4.033160</a>.'
  mla: Schade, Robert, et al. “Parallel Quantum Chemistry on Noisy Intermediate-Scale
    Quantum Computers.” <i>Phys. Rev. Research</i>, vol. 4, American Physical Society,
    2022, p. 033160, doi:<a href="https://doi.org/10.1103/PhysRevResearch.4.033160">10.1103/PhysRevResearch.4.033160</a>.
  short: R. Schade, C. Bauer, K. Tamoev, L. Mazur, C. Plessl, T. Kühne, Phys. Rev.
    Research 4 (2022) 033160.
date_created: 2022-08-29T14:07:01Z
date_updated: 2023-08-02T15:04:22Z
department:
- _id: '27'
- _id: '518'
doi: 10.1103/PhysRevResearch.4.033160
intvolume: '         4'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://journals.aps.org/prresearch/abstract/10.1103/PhysRevResearch.4.033160
oa: '1'
page: '033160'
project:
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Phys. Rev. Research
publication_status: published
publisher: American Physical Society
quality_controlled: '1'
status: public
title: Parallel quantum chemistry on noisy intermediate-scale quantum computers
type: journal_article
user_id: '75963'
volume: 4
year: '2022'
...
---
_id: '46275'
abstract:
- lang: eng
  text: "Electronic structure calculations have been instrumental in providing many\r\nimportant
    insights into a range of physical and chemical properties of various\r\nmolecular
    and solid-state systems. Their importance to various fields,\r\nincluding materials
    science, chemical sciences, computational chemistry and\r\ndevice physics, is
    underscored by the large fraction of available public\r\nsupercomputing resources
    devoted to these calculations. As we enter the\r\nexascale era, exciting new opportunities
    to increase simulation numbers, sizes,\r\nand accuracies present themselves. In
    order to realize these promises, the\r\ncommunity of electronic structure software
    developers will however first have\r\nto tackle a number of challenges pertaining
    to the efficient use of new\r\narchitectures that will rely heavily on massive
    parallelism and hardware\r\naccelerators. This roadmap provides a broad overview
    of the state-of-the-art in\r\nelectronic structure calculations and of the various
    new directions being\r\npursued by the community. It covers 14 electronic structure
    codes, presenting\r\ntheir current status, their development priorities over the
    next five years,\r\nand their plans towards tackling the challenges and leveraging
    the\r\nopportunities presented by the advent of exascale computing."
author:
- first_name: Vikram
  full_name: Gavini, Vikram
  last_name: Gavini
- first_name: Stefano
  full_name: Baroni, Stefano
  last_name: Baroni
- first_name: Volker
  full_name: Blum, Volker
  last_name: Blum
- first_name: David R.
  full_name: Bowler, David R.
  last_name: Bowler
- first_name: Alexander
  full_name: Buccheri, Alexander
  last_name: Buccheri
- first_name: James R.
  full_name: Chelikowsky, James R.
  last_name: Chelikowsky
- first_name: Sambit
  full_name: Das, Sambit
  last_name: Das
- first_name: William
  full_name: Dawson, William
  last_name: Dawson
- first_name: Pietro
  full_name: Delugas, Pietro
  last_name: Delugas
- first_name: Mehmet
  full_name: Dogan, Mehmet
  last_name: Dogan
- first_name: Claudia
  full_name: Draxl, Claudia
  last_name: Draxl
- first_name: Giulia
  full_name: Galli, Giulia
  last_name: Galli
- first_name: Luigi
  full_name: Genovese, Luigi
  last_name: Genovese
- first_name: Paolo
  full_name: Giannozzi, Paolo
  last_name: Giannozzi
- first_name: Matteo
  full_name: Giantomassi, Matteo
  last_name: Giantomassi
- first_name: Xavier
  full_name: Gonze, Xavier
  last_name: Gonze
- first_name: Marco
  full_name: Govoni, Marco
  last_name: Govoni
- first_name: Andris
  full_name: Gulans, Andris
  last_name: Gulans
- first_name: François
  full_name: Gygi, François
  last_name: Gygi
- first_name: John M.
  full_name: Herbert, John M.
  last_name: Herbert
- first_name: Sebastian
  full_name: Kokott, Sebastian
  last_name: Kokott
- first_name: Thomas
  full_name: Kühne, Thomas
  id: '49079'
  last_name: Kühne
- first_name: Kai-Hsin
  full_name: Liou, Kai-Hsin
  last_name: Liou
- first_name: Tsuyoshi
  full_name: Miyazaki, Tsuyoshi
  last_name: Miyazaki
- first_name: Phani
  full_name: Motamarri, Phani
  last_name: Motamarri
- first_name: Ayako
  full_name: Nakata, Ayako
  last_name: Nakata
- first_name: John E.
  full_name: Pask, John E.
  last_name: Pask
- first_name: Christian
  full_name: Plessl, Christian
  id: '16153'
  last_name: Plessl
  orcid: 0000-0001-5728-9982
- first_name: Laura E.
  full_name: Ratcliff, Laura E.
  last_name: Ratcliff
- first_name: Ryan M.
  full_name: Richard, Ryan M.
  last_name: Richard
- first_name: Mariana
  full_name: Rossi, Mariana
  last_name: Rossi
- first_name: Robert
  full_name: Schade, Robert
  id: '75963'
  last_name: Schade
  orcid: 0000-0002-6268-539
- first_name: Matthias
  full_name: Scheffler, Matthias
  last_name: Scheffler
- first_name: Ole
  full_name: Schütt, Ole
  last_name: Schütt
- first_name: Phanish
  full_name: Suryanarayana, Phanish
  last_name: Suryanarayana
- first_name: Marc
  full_name: Torrent, Marc
  last_name: Torrent
- first_name: Lionel
  full_name: Truflandier, Lionel
  last_name: Truflandier
- first_name: Theresa L.
  full_name: Windus, Theresa L.
  last_name: Windus
- first_name: Qimen
  full_name: Xu, Qimen
  last_name: Xu
- first_name: Victor W. -Z.
  full_name: Yu, Victor W. -Z.
  last_name: Yu
- first_name: Danny
  full_name: Perez, Danny
  last_name: Perez
citation:
  ama: Gavini V, Baroni S, Blum V, et al. Roadmap on Electronic Structure Codes in
    the Exascale Era. <i>arXiv:220912747</i>. Published online 2022.
  apa: Gavini, V., Baroni, S., Blum, V., Bowler, D. R., Buccheri, A., Chelikowsky,
    J. R., Das, S., Dawson, W., Delugas, P., Dogan, M., Draxl, C., Galli, G., Genovese,
    L., Giannozzi, P., Giantomassi, M., Gonze, X., Govoni, M., Gulans, A., Gygi, F.,
    … Perez, D. (2022). Roadmap on Electronic Structure Codes in the Exascale Era.
    In <i>arXiv:2209.12747</i>.
  bibtex: '@article{Gavini_Baroni_Blum_Bowler_Buccheri_Chelikowsky_Das_Dawson_Delugas_Dogan_et
    al._2022, title={Roadmap on Electronic Structure Codes in the Exascale Era}, journal={arXiv:2209.12747},
    author={Gavini, Vikram and Baroni, Stefano and Blum, Volker and Bowler, David
    R. and Buccheri, Alexander and Chelikowsky, James R. and Das, Sambit and Dawson,
    William and Delugas, Pietro and Dogan, Mehmet and et al.}, year={2022} }'
  chicago: Gavini, Vikram, Stefano Baroni, Volker Blum, David R. Bowler, Alexander
    Buccheri, James R. Chelikowsky, Sambit Das, et al. “Roadmap on Electronic Structure
    Codes in the Exascale Era.” <i>ArXiv:2209.12747</i>, 2022.
  ieee: V. Gavini <i>et al.</i>, “Roadmap on Electronic Structure Codes in the Exascale
    Era,” <i>arXiv:2209.12747</i>. 2022.
  mla: Gavini, Vikram, et al. “Roadmap on Electronic Structure Codes in the Exascale
    Era.” <i>ArXiv:2209.12747</i>, 2022.
  short: V. Gavini, S. Baroni, V. Blum, D.R. Bowler, A. Buccheri, J.R. Chelikowsky,
    S. Das, W. Dawson, P. Delugas, M. Dogan, C. Draxl, G. Galli, L. Genovese, P. Giannozzi,
    M. Giantomassi, X. Gonze, M. Govoni, A. Gulans, F. Gygi, J.M. Herbert, S. Kokott,
    T. Kühne, K.-H. Liou, T. Miyazaki, P. Motamarri, A. Nakata, J.E. Pask, C. Plessl,
    L.E. Ratcliff, R.M. Richard, M. Rossi, R. Schade, M. Scheffler, O. Schütt, P.
    Suryanarayana, M. Torrent, L. Truflandier, T.L. Windus, Q. Xu, V.W.-Z. Yu, D.
    Perez, ArXiv:2209.12747 (2022).
date_created: 2023-08-02T14:59:18Z
date_updated: 2023-08-02T15:00:47Z
department:
- _id: '27'
external_id:
  arxiv:
  - '2209.12747'
language:
- iso: eng
project:
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: arXiv:2209.12747
status: public
title: Roadmap on Electronic Structure Codes in the Exascale Era
type: preprint
user_id: '75963'
year: '2022'
...
---
_id: '33684'
article_number: '102920'
author:
- first_name: Robert
  full_name: Schade, Robert
  id: '75963'
  last_name: Schade
  orcid: 0000-0002-6268-539
- first_name: Tobias
  full_name: Kenter, Tobias
  id: '3145'
  last_name: Kenter
- first_name: Hossam
  full_name: Elgabarty, Hossam
  id: '60250'
  last_name: Elgabarty
  orcid: 0000-0002-4945-1481
- first_name: Michael
  full_name: Lass, Michael
  id: '24135'
  last_name: Lass
  orcid: 0000-0002-5708-7632
- first_name: Ole
  full_name: Schütt, Ole
  last_name: Schütt
- first_name: Alfio
  full_name: Lazzaro, Alfio
  last_name: Lazzaro
- first_name: Hans
  full_name: Pabst, Hans
  last_name: Pabst
- first_name: Stephan
  full_name: Mohr, Stephan
  last_name: Mohr
- first_name: Jürg
  full_name: Hutter, Jürg
  last_name: Hutter
- first_name: Thomas
  full_name: Kühne, Thomas
  id: '49079'
  last_name: Kühne
- first_name: Christian
  full_name: Plessl, Christian
  id: '16153'
  last_name: Plessl
  orcid: 0000-0001-5728-9982
citation:
  ama: Schade R, Kenter T, Elgabarty H, et al. Towards electronic structure-based
    ab-initio molecular dynamics simulations with hundreds of millions of atoms. <i>Parallel
    Computing</i>. 2022;111. doi:<a href="https://doi.org/10.1016/j.parco.2022.102920">10.1016/j.parco.2022.102920</a>
  apa: Schade, R., Kenter, T., Elgabarty, H., Lass, M., Schütt, O., Lazzaro, A., Pabst,
    H., Mohr, S., Hutter, J., Kühne, T., &#38; Plessl, C. (2022). Towards electronic
    structure-based ab-initio molecular dynamics simulations with hundreds of millions
    of atoms. <i>Parallel Computing</i>, <i>111</i>, Article 102920. <a href="https://doi.org/10.1016/j.parco.2022.102920">https://doi.org/10.1016/j.parco.2022.102920</a>
  bibtex: '@article{Schade_Kenter_Elgabarty_Lass_Schütt_Lazzaro_Pabst_Mohr_Hutter_Kühne_et
    al._2022, title={Towards electronic structure-based ab-initio molecular dynamics
    simulations with hundreds of millions of atoms}, volume={111}, DOI={<a href="https://doi.org/10.1016/j.parco.2022.102920">10.1016/j.parco.2022.102920</a>},
    number={102920}, journal={Parallel Computing}, publisher={Elsevier BV}, author={Schade,
    Robert and Kenter, Tobias and Elgabarty, Hossam and Lass, Michael and Schütt,
    Ole and Lazzaro, Alfio and Pabst, Hans and Mohr, Stephan and Hutter, Jürg and
    Kühne, Thomas and et al.}, year={2022} }'
  chicago: Schade, Robert, Tobias Kenter, Hossam Elgabarty, Michael Lass, Ole Schütt,
    Alfio Lazzaro, Hans Pabst, et al. “Towards Electronic Structure-Based Ab-Initio
    Molecular Dynamics Simulations with Hundreds of Millions of Atoms.” <i>Parallel
    Computing</i> 111 (2022). <a href="https://doi.org/10.1016/j.parco.2022.102920">https://doi.org/10.1016/j.parco.2022.102920</a>.
  ieee: 'R. Schade <i>et al.</i>, “Towards electronic structure-based ab-initio molecular
    dynamics simulations with hundreds of millions of atoms,” <i>Parallel Computing</i>,
    vol. 111, Art. no. 102920, 2022, doi: <a href="https://doi.org/10.1016/j.parco.2022.102920">10.1016/j.parco.2022.102920</a>.'
  mla: Schade, Robert, et al. “Towards Electronic Structure-Based Ab-Initio Molecular
    Dynamics Simulations with Hundreds of Millions of Atoms.” <i>Parallel Computing</i>,
    vol. 111, 102920, Elsevier BV, 2022, doi:<a href="https://doi.org/10.1016/j.parco.2022.102920">10.1016/j.parco.2022.102920</a>.
  short: R. Schade, T. Kenter, H. Elgabarty, M. Lass, O. Schütt, A. Lazzaro, H. Pabst,
    S. Mohr, J. Hutter, T. Kühne, C. Plessl, Parallel Computing 111 (2022).
date_created: 2022-10-11T08:17:02Z
date_updated: 2023-08-02T15:03:55Z
department:
- _id: '613'
- _id: '27'
- _id: '518'
doi: 10.1016/j.parco.2022.102920
intvolume: '       111'
keyword:
- Artificial Intelligence
- Computer Graphics and Computer-Aided Design
- Computer Networks and Communications
- Hardware and Architecture
- Theoretical Computer Science
- Software
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://www.sciencedirect.com/science/article/pii/S0167819122000242
oa: '1'
project:
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Parallel Computing
publication_identifier:
  issn:
  - 0167-8191
publication_status: published
publisher: Elsevier BV
quality_controlled: '1'
status: public
title: Towards electronic structure-based ab-initio molecular dynamics simulations
  with hundreds of millions of atoms
type: journal_article
user_id: '75963'
volume: 111
year: '2022'
...
---
_id: '27364'
author:
- first_name: Marius
  full_name: Meyer, Marius
  id: '40778'
  last_name: Meyer
- first_name: Tobias
  full_name: Kenter, Tobias
  id: '3145'
  last_name: Kenter
- first_name: Christian
  full_name: Plessl, Christian
  id: '16153'
  last_name: Plessl
  orcid: 0000-0001-5728-9982
citation:
  ama: Meyer M, Kenter T, Plessl C. In-depth FPGA Accelerator Performance Evaluation
    with Single Node Benchmarks from the HPC Challenge Benchmark Suite for Intel and
    Xilinx FPGAs using OpenCL. <i>Journal of Parallel and Distributed Computing</i>.
    Published online 2022. doi:<a href="https://doi.org/10.1016/j.jpdc.2021.10.007">10.1016/j.jpdc.2021.10.007</a>
  apa: Meyer, M., Kenter, T., &#38; Plessl, C. (2022). In-depth FPGA Accelerator Performance
    Evaluation with Single Node Benchmarks from the HPC Challenge Benchmark Suite
    for Intel and Xilinx FPGAs using OpenCL. <i>Journal of Parallel and Distributed
    Computing</i>. <a href="https://doi.org/10.1016/j.jpdc.2021.10.007">https://doi.org/10.1016/j.jpdc.2021.10.007</a>
  bibtex: '@article{Meyer_Kenter_Plessl_2022, title={In-depth FPGA Accelerator Performance
    Evaluation with Single Node Benchmarks from the HPC Challenge Benchmark Suite
    for Intel and Xilinx FPGAs using OpenCL}, DOI={<a href="https://doi.org/10.1016/j.jpdc.2021.10.007">10.1016/j.jpdc.2021.10.007</a>},
    journal={Journal of Parallel and Distributed Computing}, author={Meyer, Marius
    and Kenter, Tobias and Plessl, Christian}, year={2022} }'
  chicago: Meyer, Marius, Tobias Kenter, and Christian Plessl. “In-Depth FPGA Accelerator
    Performance Evaluation with Single Node Benchmarks from the HPC Challenge Benchmark
    Suite for Intel and Xilinx FPGAs Using OpenCL.” <i>Journal of Parallel and Distributed
    Computing</i>, 2022. <a href="https://doi.org/10.1016/j.jpdc.2021.10.007">https://doi.org/10.1016/j.jpdc.2021.10.007</a>.
  ieee: 'M. Meyer, T. Kenter, and C. Plessl, “In-depth FPGA Accelerator Performance
    Evaluation with Single Node Benchmarks from the HPC Challenge Benchmark Suite
    for Intel and Xilinx FPGAs using OpenCL,” <i>Journal of Parallel and Distributed
    Computing</i>, 2022, doi: <a href="https://doi.org/10.1016/j.jpdc.2021.10.007">10.1016/j.jpdc.2021.10.007</a>.'
  mla: Meyer, Marius, et al. “In-Depth FPGA Accelerator Performance Evaluation with
    Single Node Benchmarks from the HPC Challenge Benchmark Suite for Intel and Xilinx
    FPGAs Using OpenCL.” <i>Journal of Parallel and Distributed Computing</i>, 2022,
    doi:<a href="https://doi.org/10.1016/j.jpdc.2021.10.007">10.1016/j.jpdc.2021.10.007</a>.
  short: M. Meyer, T. Kenter, C. Plessl, Journal of Parallel and Distributed Computing
    (2022).
date_created: 2021-11-10T14:36:27Z
date_updated: 2023-09-26T10:26:56Z
department:
- _id: '27'
- _id: '518'
doi: 10.1016/j.jpdc.2021.10.007
language:
- iso: eng
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Journal of Parallel and Distributed Computing
publication_identifier:
  issn:
  - 0743-7315
publication_status: published
quality_controlled: '1'
status: public
title: In-depth FPGA Accelerator Performance Evaluation with Single Node Benchmarks
  from the HPC Challenge Benchmark Suite for Intel and Xilinx FPGAs using OpenCL
type: journal_article
user_id: '15278'
year: '2022'
...
---
_id: '34136'
author:
- first_name: Yevgen
  full_name: Grynko, Yevgen
  id: '26059'
  last_name: Grynko
- first_name: Yuriy
  full_name: Shkuratov, Yuriy
  last_name: Shkuratov
- first_name: Samer
  full_name: Alhaddad, Samer
  id: '42456'
  last_name: Alhaddad
- first_name: Jens
  full_name: Förstner, Jens
  id: '158'
  last_name: Förstner
  orcid: 0000-0001-7059-9862
citation:
  ama: 'Grynko Y, Shkuratov Y, Alhaddad S, Förstner J. Light backscattering from numerical
    analog of planetary regoliths. In: Copernicus GmbH; 2022. doi:<a href="https://doi.org/10.5194/epsc2022-151">10.5194/epsc2022-151</a>'
  apa: Grynko, Y., Shkuratov, Y., Alhaddad, S., &#38; Förstner, J. (2022). <i>Light
    backscattering from numerical analog of planetary regoliths</i>. 16th Europlanet
    Science Congress 2022, Granada, Spain. <a href="https://doi.org/10.5194/epsc2022-151">https://doi.org/10.5194/epsc2022-151</a>
  bibtex: '@inproceedings{Grynko_Shkuratov_Alhaddad_Förstner_2022, title={Light backscattering
    from numerical analog of planetary regoliths}, DOI={<a href="https://doi.org/10.5194/epsc2022-151">10.5194/epsc2022-151</a>},
    publisher={Copernicus GmbH}, author={Grynko, Yevgen and Shkuratov, Yuriy and Alhaddad,
    Samer and Förstner, Jens}, year={2022} }'
  chicago: Grynko, Yevgen, Yuriy Shkuratov, Samer Alhaddad, and Jens Förstner. “Light
    Backscattering from Numerical Analog of Planetary Regoliths.” Copernicus GmbH,
    2022. <a href="https://doi.org/10.5194/epsc2022-151">https://doi.org/10.5194/epsc2022-151</a>.
  ieee: 'Y. Grynko, Y. Shkuratov, S. Alhaddad, and J. Förstner, “Light backscattering
    from numerical analog of planetary regoliths,” presented at the 16th Europlanet
    Science Congress 2022, Granada, Spain, 2022, doi: <a href="https://doi.org/10.5194/epsc2022-151">10.5194/epsc2022-151</a>.'
  mla: Grynko, Yevgen, et al. <i>Light Backscattering from Numerical Analog of Planetary
    Regoliths</i>. Copernicus GmbH, 2022, doi:<a href="https://doi.org/10.5194/epsc2022-151">10.5194/epsc2022-151</a>.
  short: 'Y. Grynko, Y. Shkuratov, S. Alhaddad, J. Förstner, in: Copernicus GmbH,
    2022.'
conference:
  end_date: 2022-09-23
  location: Granada, Spain
  name: 16th Europlanet Science Congress 2022
  start_date: 2022-09-18
date_created: 2022-11-23T12:03:29Z
date_updated: 2026-01-17T16:42:35Z
ddc:
- '530'
department:
- _id: '61'
- _id: '230'
doi: 10.5194/epsc2022-151
file:
- access_level: open_access
  content_type: application/pdf
  creator: fossie
  date_created: 2022-11-23T12:07:10Z
  date_updated: 2022-11-23T12:07:10Z
  file_id: '34137'
  file_name: 2022-09 Grynko - EPSC2022 conference -151-print.pdf
  file_size: 645190
  relation: main_file
file_date_updated: 2022-11-23T12:07:10Z
has_accepted_license: '1'
keyword:
- tet_topic_scattering
language:
- iso: eng
oa: '1'
project:
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication_status: published
publisher: Copernicus GmbH
status: public
title: Light backscattering from numerical analog of planetary regoliths
type: conference_abstract
user_id: '158'
year: '2022'
...
---
_id: '49113'
abstract:
- lang: eng
  text: 'In this report we present our system for the Detection and Classification
    of Acoustic Scenes and Events (DCASE) 2022 Challenge Task 4: Sound Event Detection
    in Domestic Environments 1 . As in previous editions of the Challenge, we use
    forward-backward convolutional recurrent neural networks (FBCRNNs) [1, 2] for
    weakly labeled and semi-supervised sound event detection (SED) and eventually
    generate strong pseudo labels for weakly labeled and unlabeled data. Then, (tag-conditioned)
    bidirectional CRNNs (Bi-CRNNs) [1, 2] are trained in a strongly supervised manner
    as our final SED models. In each of the training stages we use multiple iterations
    of self-training. Compared to previous editions, we improved our system performance
    by 1) some tweaks regarding data augmentation, pseudo labeling and inference 2)
    using weakly labeled AudioSet data [3] for pretraining larger networks and 3)
    augmenting the DESED data [4] with strongly labeled AudioSet data [5] for finetuning
    of the networks. Source code is publicly available at https://github.com/fgnt/pb_sed.'
author:
- first_name: Janek
  full_name: Ebbers, Janek
  id: '34851'
  last_name: Ebbers
- first_name: Reinhold
  full_name: Haeb-Umbach, Reinhold
  id: '242'
  last_name: Haeb-Umbach
citation:
  ama: Ebbers J, Haeb-Umbach R. <i>Pre-Training And Self-Training For Sound Event
    Detection In Domestic Environments</i>.; 2022.
  apa: Ebbers, J., &#38; Haeb-Umbach, R. (2022). <i>Pre-Training And Self-Training
    For Sound Event Detection In Domestic Environments</i>.
  bibtex: '@book{Ebbers_Haeb-Umbach_2022, title={Pre-Training And Self-Training For
    Sound Event Detection In Domestic Environments}, author={Ebbers, Janek and Haeb-Umbach,
    Reinhold}, year={2022} }'
  chicago: Ebbers, Janek, and Reinhold Haeb-Umbach. <i>Pre-Training And Self-Training
    For Sound Event Detection In Domestic Environments</i>, 2022.
  ieee: J. Ebbers and R. Haeb-Umbach, <i>Pre-Training And Self-Training For Sound
    Event Detection In Domestic Environments</i>. 2022.
  mla: Ebbers, Janek, and Reinhold Haeb-Umbach. <i>Pre-Training And Self-Training
    For Sound Event Detection In Domestic Environments</i>. 2022.
  short: J. Ebbers, R. Haeb-Umbach, Pre-Training And Self-Training For Sound Event
    Detection In Domestic Environments, 2022.
date_created: 2023-11-22T08:34:23Z
date_updated: 2024-11-15T20:34:52Z
ddc:
- '000'
department:
- _id: '54'
file:
- access_level: closed
  content_type: application/pdf
  creator: ebbers
  date_created: 2023-11-22T08:35:23Z
  date_updated: 2023-11-22T08:35:23Z
  file_id: '49114'
  file_name: dcase2022_tech_report_ebbers.pdf
  file_size: 491650
  relation: main_file
  success: 1
file_date_updated: 2023-11-22T08:35:23Z
has_accepted_license: '1'
language:
- iso: eng
project:
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
status: public
title: Pre-Training And Self-Training For Sound Event Detection In Domestic Environments
type: report
user_id: '34851'
year: '2022'
...
---
_id: '33509'
abstract:
- lang: eng
  text: In this publication a novel method for far-field prediction from magnetic
    Huygens box data based on the boundary element method (BEM) is presented. Two
    examples are considered for the validation of this method. The first example represents
    an electric dipole so that the obtained calculations can be compared to an analytical
    solution. As a second example, a printed circuit board is considered and the calculated
    far-field is compared to a fullwave simulation. In both cases, the calculations
    for different field integral equations are under comparison, and the results indicate
    that the presented method performs very well with a combined field integral equation,
    for the specified problem, when only magnetic Huygens box data is given.
author:
- first_name: Christoph
  full_name: Marschalt, Christoph
  last_name: Marschalt
- first_name: Dominik
  full_name: Schroder, Dominik
  last_name: Schroder
- first_name: Sven
  full_name: Lange, Sven
  id: '38240'
  last_name: Lange
  orcid: '0009-0007-9150-2266 '
- first_name: Ulrich
  full_name: Hilleringmann, Ulrich
  id: '20179'
  last_name: Hilleringmann
- first_name: Christian
  full_name: Hedayat, Christian
  last_name: Hedayat
- first_name: Harald
  full_name: Kuhn, Harald
  last_name: Kuhn
- first_name: Denis
  full_name: Sievers, Denis
  last_name: Sievers
- first_name: Jens
  full_name: Förstner, Jens
  id: '158'
  last_name: Förstner
  orcid: 0000-0001-7059-9862
citation:
  ama: 'Marschalt C, Schroder D, Lange S, et al. Far-field Calculation from magnetic
    Huygens Box Data using the Boundary Element Method. In: <i>2022 Smart Systems
    Integration (SSI)</i>. IEEE; 2022. doi:<a href="https://doi.org/10.1109/ssi56489.2022.9901431">10.1109/ssi56489.2022.9901431</a>'
  apa: Marschalt, C., Schroder, D., Lange, S., Hilleringmann, U., Hedayat, C., Kuhn,
    H., Sievers, D., &#38; Förstner, J. (2022). Far-field Calculation from magnetic
    Huygens Box Data using the Boundary Element Method. <i>2022 Smart Systems Integration
    (SSI)</i>. 2022 Smart Systems Integration (SSI), Grenoble, France. <a href="https://doi.org/10.1109/ssi56489.2022.9901431">https://doi.org/10.1109/ssi56489.2022.9901431</a>
  bibtex: '@inproceedings{Marschalt_Schroder_Lange_Hilleringmann_Hedayat_Kuhn_Sievers_Förstner_2022,
    place={Grenoble, France}, title={Far-field Calculation from magnetic Huygens Box
    Data using the Boundary Element Method}, DOI={<a href="https://doi.org/10.1109/ssi56489.2022.9901431">10.1109/ssi56489.2022.9901431</a>},
    booktitle={2022 Smart Systems Integration (SSI)}, publisher={IEEE}, author={Marschalt,
    Christoph and Schroder, Dominik and Lange, Sven and Hilleringmann, Ulrich and
    Hedayat, Christian and Kuhn, Harald and Sievers, Denis and Förstner, Jens}, year={2022}
    }'
  chicago: 'Marschalt, Christoph, Dominik Schroder, Sven Lange, Ulrich Hilleringmann,
    Christian Hedayat, Harald Kuhn, Denis Sievers, and Jens Förstner. “Far-Field Calculation
    from Magnetic Huygens Box Data Using the Boundary Element Method.” In <i>2022
    Smart Systems Integration (SSI)</i>. Grenoble, France: IEEE, 2022. <a href="https://doi.org/10.1109/ssi56489.2022.9901431">https://doi.org/10.1109/ssi56489.2022.9901431</a>.'
  ieee: 'C. Marschalt <i>et al.</i>, “Far-field Calculation from magnetic Huygens
    Box Data using the Boundary Element Method,” presented at the 2022 Smart Systems
    Integration (SSI), Grenoble, France, 2022, doi: <a href="https://doi.org/10.1109/ssi56489.2022.9901431">10.1109/ssi56489.2022.9901431</a>.'
  mla: Marschalt, Christoph, et al. “Far-Field Calculation from Magnetic Huygens Box
    Data Using the Boundary Element Method.” <i>2022 Smart Systems Integration (SSI)</i>,
    IEEE, 2022, doi:<a href="https://doi.org/10.1109/ssi56489.2022.9901431">10.1109/ssi56489.2022.9901431</a>.
  short: 'C. Marschalt, D. Schroder, S. Lange, U. Hilleringmann, C. Hedayat, H. Kuhn,
    D. Sievers, J. Förstner, in: 2022 Smart Systems Integration (SSI), IEEE, Grenoble,
    France, 2022.'
conference:
  end_date: 2022-04-28
  location: Grenoble, France
  name: 2022 Smart Systems Integration (SSI)
  start_date: 2022-04-27
date_created: 2022-10-04T11:31:43Z
date_updated: 2024-11-30T19:32:14Z
department:
- _id: '59'
- _id: '61'
- _id: '485'
doi: 10.1109/ssi56489.2022.9901431
keyword:
- Near-Field Scanning
- Huygens Box
- Boundary Element Method
- Method of Moments
- tet_topic_hf
- tet_enas
language:
- iso: eng
main_file_link:
- url: https://ieeexplore.ieee.org/document/9901431
place: Grenoble, France
project:
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: 2022 Smart Systems Integration (SSI)
publication_identifier:
  eisbn:
  - 978-1-6654-8849-5
publication_status: published
publisher: IEEE
status: public
title: Far-field Calculation from magnetic Huygens Box Data using the Boundary Element
  Method
type: conference
user_id: '158'
year: '2022'
...
---
_id: '33848'
abstract:
- lang: eng
  text: "Impressive progress in neural network-based single-channel speech source\r\nseparation
    has been made in recent years. But those improvements have been\r\nmostly reported
    on anechoic data, a situation that is hardly met in practice.\r\nTaking the SepFormer
    as a starting point, which achieves state-of-the-art\r\nperformance on anechoic
    mixtures, we gradually modify it to optimize its\r\nperformance on reverberant
    mixtures. Although this leads to a word error rate\r\nimprovement by 7 percentage
    points compared to the standard SepFormer\r\nimplementation, the system ends up
    with only marginally better performance than\r\na PIT-BLSTM separation system,
    that is optimized with rather straightforward\r\nmeans. This is surprising and
    at the same time sobering, challenging the\r\npractical usefulness of many improvements
    reported in recent years for monaural\r\nsource separation on nonreverberant data."
author:
- first_name: Tobias
  full_name: Cord-Landwehr, Tobias
  id: '44393'
  last_name: Cord-Landwehr
- first_name: Christoph
  full_name: Boeddeker, Christoph
  id: '40767'
  last_name: Boeddeker
- first_name: Thilo
  full_name: von Neumann, Thilo
  id: '49870'
  last_name: von Neumann
  orcid: https://orcid.org/0000-0002-7717-8670
- first_name: Catalin
  full_name: Zorila, Catalin
  last_name: Zorila
- first_name: Rama
  full_name: Doddipatla, Rama
  last_name: Doddipatla
- first_name: Reinhold
  full_name: Haeb-Umbach, Reinhold
  id: '242'
  last_name: Haeb-Umbach
citation:
  ama: 'Cord-Landwehr T, Boeddeker C, von Neumann T, Zorila C, Doddipatla R, Haeb-Umbach
    R. Monaural source separation: From anechoic to reverberant environments. In:
    <i>2022 International Workshop on Acoustic Signal Enhancement (IWAENC)</i>. IEEE;
    2022.'
  apa: 'Cord-Landwehr, T., Boeddeker, C., von Neumann, T., Zorila, C., Doddipatla,
    R., &#38; Haeb-Umbach, R. (2022). Monaural source separation: From anechoic to
    reverberant environments. <i>2022 International Workshop on Acoustic Signal Enhancement
    (IWAENC)</i>. 2022 International Workshop on Acoustic Signal Enhancement (IWAENC).'
  bibtex: '@inproceedings{Cord-Landwehr_Boeddeker_von Neumann_Zorila_Doddipatla_Haeb-Umbach_2022,
    place={Bamberg}, title={Monaural source separation: From anechoic to reverberant
    environments}, booktitle={2022 International Workshop on Acoustic Signal Enhancement
    (IWAENC)}, publisher={IEEE}, author={Cord-Landwehr, Tobias and Boeddeker, Christoph
    and von Neumann, Thilo and Zorila, Catalin and Doddipatla, Rama and Haeb-Umbach,
    Reinhold}, year={2022} }'
  chicago: 'Cord-Landwehr, Tobias, Christoph Boeddeker, Thilo von Neumann, Catalin
    Zorila, Rama Doddipatla, and Reinhold Haeb-Umbach. “Monaural Source Separation:
    From Anechoic to Reverberant Environments.” In <i>2022 International Workshop
    on Acoustic Signal Enhancement (IWAENC)</i>. Bamberg: IEEE, 2022.'
  ieee: 'T. Cord-Landwehr, C. Boeddeker, T. von Neumann, C. Zorila, R. Doddipatla,
    and R. Haeb-Umbach, “Monaural source separation: From anechoic to reverberant
    environments,” presented at the 2022 International Workshop on Acoustic Signal
    Enhancement (IWAENC), 2022.'
  mla: 'Cord-Landwehr, Tobias, et al. “Monaural Source Separation: From Anechoic to
    Reverberant Environments.” <i>2022 International Workshop on Acoustic Signal Enhancement
    (IWAENC)</i>, IEEE, 2022.'
  short: 'T. Cord-Landwehr, C. Boeddeker, T. von Neumann, C. Zorila, R. Doddipatla,
    R. Haeb-Umbach, in: 2022 International Workshop on Acoustic Signal Enhancement
    (IWAENC), IEEE, Bamberg, 2022.'
conference:
  name: 2022 International Workshop on Acoustic Signal Enhancement (IWAENC)
date_created: 2022-10-20T14:07:28Z
date_updated: 2025-02-12T09:05:25Z
ddc:
- '000'
department:
- _id: '54'
external_id:
  arxiv:
  - '2111.07578'
file:
- access_level: open_access
  content_type: application/pdf
  creator: cord
  date_created: 2023-11-15T14:52:16Z
  date_updated: 2023-11-15T14:52:16Z
  file_id: '48930'
  file_name: monaural_source_separation.pdf
  file_size: 212890
  relation: main_file
file_date_updated: 2023-11-15T14:52:16Z
has_accepted_license: '1'
language:
- iso: eng
oa: '1'
place: Bamberg
project:
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
- _id: '508'
  grant_number: '448568305'
  name: Automatische Transkription von Gesprächssituationen
publication: 2022 International Workshop on Acoustic Signal Enhancement (IWAENC)
publisher: IEEE
status: public
title: 'Monaural source separation: From anechoic to reverberant environments'
type: conference
user_id: '40767'
year: '2022'
...
---
_id: '33819'
author:
- first_name: Thilo
  full_name: von Neumann, Thilo
  id: '49870'
  last_name: von Neumann
  orcid: https://orcid.org/0000-0002-7717-8670
- first_name: Keisuke
  full_name: Kinoshita, Keisuke
  last_name: Kinoshita
- first_name: Christoph
  full_name: Boeddeker, Christoph
  id: '40767'
  last_name: Boeddeker
- first_name: Marc
  full_name: Delcroix, Marc
  last_name: Delcroix
- first_name: Reinhold
  full_name: Haeb-Umbach, Reinhold
  id: '242'
  last_name: Haeb-Umbach
citation:
  ama: 'von Neumann T, Kinoshita K, Boeddeker C, Delcroix M, Haeb-Umbach R. SA-SDR:
    A Novel Loss Function for Separation of Meeting Style Data. In: <i>ICASSP 2022
    - 2022 IEEE International Conference on Acoustics, Speech and Signal Processing
    (ICASSP)</i>. IEEE; 2022. doi:<a href="https://doi.org/10.1109/icassp43922.2022.9746757">10.1109/icassp43922.2022.9746757</a>'
  apa: 'von Neumann, T., Kinoshita, K., Boeddeker, C., Delcroix, M., &#38; Haeb-Umbach,
    R. (2022). SA-SDR: A Novel Loss Function for Separation of Meeting Style Data.
    <i>ICASSP 2022 - 2022 IEEE International Conference on Acoustics, Speech and Signal
    Processing (ICASSP)</i>. <a href="https://doi.org/10.1109/icassp43922.2022.9746757">https://doi.org/10.1109/icassp43922.2022.9746757</a>'
  bibtex: '@inproceedings{von Neumann_Kinoshita_Boeddeker_Delcroix_Haeb-Umbach_2022,
    title={SA-SDR: A Novel Loss Function for Separation of Meeting Style Data}, DOI={<a
    href="https://doi.org/10.1109/icassp43922.2022.9746757">10.1109/icassp43922.2022.9746757</a>},
    booktitle={ICASSP 2022 - 2022 IEEE International Conference on Acoustics, Speech
    and Signal Processing (ICASSP)}, publisher={IEEE}, author={von Neumann, Thilo
    and Kinoshita, Keisuke and Boeddeker, Christoph and Delcroix, Marc and Haeb-Umbach,
    Reinhold}, year={2022} }'
  chicago: 'Neumann, Thilo von, Keisuke Kinoshita, Christoph Boeddeker, Marc Delcroix,
    and Reinhold Haeb-Umbach. “SA-SDR: A Novel Loss Function for Separation of Meeting
    Style Data.” In <i>ICASSP 2022 - 2022 IEEE International Conference on Acoustics,
    Speech and Signal Processing (ICASSP)</i>. IEEE, 2022. <a href="https://doi.org/10.1109/icassp43922.2022.9746757">https://doi.org/10.1109/icassp43922.2022.9746757</a>.'
  ieee: 'T. von Neumann, K. Kinoshita, C. Boeddeker, M. Delcroix, and R. Haeb-Umbach,
    “SA-SDR: A Novel Loss Function for Separation of Meeting Style Data,” 2022, doi:
    <a href="https://doi.org/10.1109/icassp43922.2022.9746757">10.1109/icassp43922.2022.9746757</a>.'
  mla: 'von Neumann, Thilo, et al. “SA-SDR: A Novel Loss Function for Separation of
    Meeting Style Data.” <i>ICASSP 2022 - 2022 IEEE International Conference on Acoustics,
    Speech and Signal Processing (ICASSP)</i>, IEEE, 2022, doi:<a href="https://doi.org/10.1109/icassp43922.2022.9746757">10.1109/icassp43922.2022.9746757</a>.'
  short: 'T. von Neumann, K. Kinoshita, C. Boeddeker, M. Delcroix, R. Haeb-Umbach,
    in: ICASSP 2022 - 2022 IEEE International Conference on Acoustics, Speech and
    Signal Processing (ICASSP), IEEE, 2022.'
date_created: 2022-10-20T05:29:12Z
date_updated: 2025-02-12T09:08:14Z
ddc:
- '000'
department:
- _id: '54'
doi: 10.1109/icassp43922.2022.9746757
file:
- access_level: open_access
  content_type: application/pdf
  creator: tvn
  date_created: 2022-10-20T05:33:10Z
  date_updated: 2022-10-20T05:33:10Z
  file_id: '33820'
  file_name: main.pdf
  file_size: 228069
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  content_type: application/pdf
  creator: tvn
  date_created: 2022-10-20T05:35:32Z
  date_updated: 2022-10-20T05:35:32Z
  file_id: '33821'
  file_name: poster.pdf
  file_size: 229166
  relation: poster
file_date_updated: 2022-10-20T05:35:32Z
has_accepted_license: '1'
language:
- iso: eng
oa: '1'
project:
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
- _id: '508'
  grant_number: '448568305'
  name: Automatische Transkription von Gesprächssituationen
publication: ICASSP 2022 - 2022 IEEE International Conference on Acoustics, Speech
  and Signal Processing (ICASSP)
publication_status: published
publisher: IEEE
quality_controlled: '1'
related_material:
  link:
  - relation: supplementary_material
    url: https://github.com/fgnt/graph_pit
status: public
title: 'SA-SDR: A Novel Loss Function for Separation of Meeting Style Data'
type: conference
user_id: '40767'
year: '2022'
...
---
_id: '33816'
author:
- first_name: Tobias
  full_name: Gburrek, Tobias
  id: '44006'
  last_name: Gburrek
- first_name: Christoph
  full_name: Boeddeker, Christoph
  id: '40767'
  last_name: Boeddeker
- first_name: Thilo
  full_name: von Neumann, Thilo
  id: '49870'
  last_name: von Neumann
  orcid: https://orcid.org/0000-0002-7717-8670
- first_name: Tobias
  full_name: Cord-Landwehr, Tobias
  id: '44393'
  last_name: Cord-Landwehr
- first_name: Joerg
  full_name: Schmalenstroeer, Joerg
  id: '460'
  last_name: Schmalenstroeer
- first_name: Reinhold
  full_name: Haeb-Umbach, Reinhold
  id: '242'
  last_name: Haeb-Umbach
citation:
  ama: Gburrek T, Boeddeker C, von Neumann T, Cord-Landwehr T, Schmalenstroeer J,
    Haeb-Umbach R. <i>A Meeting Transcription System for an Ad-Hoc Acoustic Sensor
    Network</i>. arXiv; 2022. doi:<a href="https://doi.org/10.48550/ARXIV.2205.00944">10.48550/ARXIV.2205.00944</a>
  apa: Gburrek, T., Boeddeker, C., von Neumann, T., Cord-Landwehr, T., Schmalenstroeer,
    J., &#38; Haeb-Umbach, R. (2022). <i>A Meeting Transcription System for an Ad-Hoc
    Acoustic Sensor Network</i>. arXiv. <a href="https://doi.org/10.48550/ARXIV.2205.00944">https://doi.org/10.48550/ARXIV.2205.00944</a>
  bibtex: '@book{Gburrek_Boeddeker_von Neumann_Cord-Landwehr_Schmalenstroeer_Haeb-Umbach_2022,
    title={A Meeting Transcription System for an Ad-Hoc Acoustic Sensor Network},
    DOI={<a href="https://doi.org/10.48550/ARXIV.2205.00944">10.48550/ARXIV.2205.00944</a>},
    publisher={arXiv}, author={Gburrek, Tobias and Boeddeker, Christoph and von Neumann,
    Thilo and Cord-Landwehr, Tobias and Schmalenstroeer, Joerg and Haeb-Umbach, Reinhold},
    year={2022} }'
  chicago: Gburrek, Tobias, Christoph Boeddeker, Thilo von Neumann, Tobias Cord-Landwehr,
    Joerg Schmalenstroeer, and Reinhold Haeb-Umbach. <i>A Meeting Transcription System
    for an Ad-Hoc Acoustic Sensor Network</i>. arXiv, 2022. <a href="https://doi.org/10.48550/ARXIV.2205.00944">https://doi.org/10.48550/ARXIV.2205.00944</a>.
  ieee: T. Gburrek, C. Boeddeker, T. von Neumann, T. Cord-Landwehr, J. Schmalenstroeer,
    and R. Haeb-Umbach, <i>A Meeting Transcription System for an Ad-Hoc Acoustic Sensor
    Network</i>. arXiv, 2022.
  mla: Gburrek, Tobias, et al. <i>A Meeting Transcription System for an Ad-Hoc Acoustic
    Sensor Network</i>. arXiv, 2022, doi:<a href="https://doi.org/10.48550/ARXIV.2205.00944">10.48550/ARXIV.2205.00944</a>.
  short: T. Gburrek, C. Boeddeker, T. von Neumann, T. Cord-Landwehr, J. Schmalenstroeer,
    R. Haeb-Umbach, A Meeting Transcription System for an Ad-Hoc Acoustic Sensor Network,
    arXiv, 2022.
date_created: 2022-10-18T11:10:58Z
date_updated: 2025-02-12T09:03:42Z
ddc:
- '004'
department:
- _id: '54'
doi: 10.48550/ARXIV.2205.00944
file:
- access_level: open_access
  content_type: application/pdf
  creator: tgburrek
  date_created: 2023-11-17T06:42:04Z
  date_updated: 2023-11-17T06:42:04Z
  file_id: '48992'
  file_name: meeting_transcription_22.pdf
  file_size: 199006
  relation: main_file
file_date_updated: 2023-11-17T06:42:04Z
has_accepted_license: '1'
language:
- iso: eng
oa: '1'
project:
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
- _id: '508'
  grant_number: '448568305'
  name: Automatische Transkription von Gesprächssituationen
publisher: arXiv
status: public
title: A Meeting Transcription System for an Ad-Hoc Acoustic Sensor Network
type: misc
user_id: '40767'
year: '2022'
...
---
_id: '33954'
author:
- first_name: Christoph
  full_name: Boeddeker, Christoph
  id: '40767'
  last_name: Boeddeker
- first_name: Tobias
  full_name: Cord-Landwehr, Tobias
  id: '44393'
  last_name: Cord-Landwehr
- first_name: Thilo
  full_name: von Neumann, Thilo
  id: '49870'
  last_name: von Neumann
  orcid: https://orcid.org/0000-0002-7717-8670
- first_name: Reinhold
  full_name: Haeb-Umbach, Reinhold
  id: '242'
  last_name: Haeb-Umbach
citation:
  ama: 'Boeddeker C, Cord-Landwehr T, von Neumann T, Haeb-Umbach R. An Initialization
    Scheme for Meeting Separation with Spatial Mixture Models. In: <i>Interspeech
    2022</i>. ISCA; 2022. doi:<a href="https://doi.org/10.21437/interspeech.2022-10929">10.21437/interspeech.2022-10929</a>'
  apa: Boeddeker, C., Cord-Landwehr, T., von Neumann, T., &#38; Haeb-Umbach, R. (2022).
    An Initialization Scheme for Meeting Separation with Spatial Mixture Models. <i>Interspeech
    2022</i>. <a href="https://doi.org/10.21437/interspeech.2022-10929">https://doi.org/10.21437/interspeech.2022-10929</a>
  bibtex: '@inproceedings{Boeddeker_Cord-Landwehr_von Neumann_Haeb-Umbach_2022, title={An
    Initialization Scheme for Meeting Separation with Spatial Mixture Models}, DOI={<a
    href="https://doi.org/10.21437/interspeech.2022-10929">10.21437/interspeech.2022-10929</a>},
    booktitle={Interspeech 2022}, publisher={ISCA}, author={Boeddeker, Christoph and
    Cord-Landwehr, Tobias and von Neumann, Thilo and Haeb-Umbach, Reinhold}, year={2022}
    }'
  chicago: Boeddeker, Christoph, Tobias Cord-Landwehr, Thilo von Neumann, and Reinhold
    Haeb-Umbach. “An Initialization Scheme for Meeting Separation with Spatial Mixture
    Models.” In <i>Interspeech 2022</i>. ISCA, 2022. <a href="https://doi.org/10.21437/interspeech.2022-10929">https://doi.org/10.21437/interspeech.2022-10929</a>.
  ieee: 'C. Boeddeker, T. Cord-Landwehr, T. von Neumann, and R. Haeb-Umbach, “An Initialization
    Scheme for Meeting Separation with Spatial Mixture Models,” 2022, doi: <a href="https://doi.org/10.21437/interspeech.2022-10929">10.21437/interspeech.2022-10929</a>.'
  mla: Boeddeker, Christoph, et al. “An Initialization Scheme for Meeting Separation
    with Spatial Mixture Models.” <i>Interspeech 2022</i>, ISCA, 2022, doi:<a href="https://doi.org/10.21437/interspeech.2022-10929">10.21437/interspeech.2022-10929</a>.
  short: 'C. Boeddeker, T. Cord-Landwehr, T. von Neumann, R. Haeb-Umbach, in: Interspeech
    2022, ISCA, 2022.'
date_created: 2022-10-28T10:53:56Z
date_updated: 2025-02-12T09:06:56Z
department:
- _id: '54'
doi: 10.21437/interspeech.2022-10929
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://www.isca-archive.org/interspeech_2022/boeddeker22_interspeech.pdf
oa: '1'
project:
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
- _id: '508'
  grant_number: '448568305'
  name: Automatische Transkription von Gesprächssituationen
publication: Interspeech 2022
publication_status: published
publisher: ISCA
status: public
title: An Initialization Scheme for Meeting Separation with Spatial Mixture Models
type: conference
user_id: '40767'
year: '2022'
...
---
_id: '44088'
abstract:
- lang: eng
  text: 'Hole polarons and defect-bound exciton polarons in lithium niobate are investigated
    by means of density-functional theory, where the localization of the holes is
    achieved by applying the +U approach to the oxygen 2p orbitals. We find three
    principal configurations of hole polarons: (i) self-trapped holes localized at
    displaced regular oxygen atoms and (ii) two other configurations bound to a lithium
    vacancy either at a threefold coordinated oxygen atom above or at a two-fold coordinated
    oxygen atom below the defect. The latter is the most stable and is in excellent
    quantitative agreement with measured g factors from electron paramagnetic resonance.
    Due to the absence of mid-gap states, none of these hole polarons can explain
    the broad optical absorption centered between 2.5 and 2.8 eV that is observed
    in transient absorption spectroscopy, but such states appear if a free electron
    polaron is trapped at the same lithium vacancy as the bound hole polaron, resulting
    in an exciton polaron. The dielectric function calculated by solving the Bethe–Salpeter
    equation indeed yields an optical peak at 2.6 eV in agreement with the two-photon
    experiments. The coexistence of hole and exciton polarons, which are simultaneously
    created in optical excitations, thus satisfactorily explains the reported experimental
    data.'
article_number: '1586'
article_type: original
author:
- first_name: Falko
  full_name: Schmidt, Falko
  id: '35251'
  last_name: Schmidt
  orcid: 0000-0002-5071-5528
- first_name: Agnieszka L.
  full_name: Kozub, Agnieszka L.
  id: '77566'
  last_name: Kozub
  orcid: 0000-0001-6584-0201
- first_name: Uwe
  full_name: Gerstmann, Uwe
  id: '171'
  last_name: Gerstmann
  orcid: 0000-0002-4476-223X
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: Arno
  full_name: Schindlmayr, Arno
  id: '458'
  last_name: Schindlmayr
  orcid: 0000-0002-4855-071X
citation:
  ama: Schmidt F, Kozub AL, Gerstmann U, Schmidt WG, Schindlmayr A. A density-functional
    theory study of hole and defect-bound exciton polarons in lithium niobate. <i>Crystals</i>.
    2022;12(11). doi:<a href="https://doi.org/10.3390/cryst12111586">10.3390/cryst12111586</a>
  apa: Schmidt, F., Kozub, A. L., Gerstmann, U., Schmidt, W. G., &#38; Schindlmayr,
    A. (2022). A density-functional theory study of hole and defect-bound exciton
    polarons in lithium niobate. <i>Crystals</i>, <i>12</i>(11), Article 1586. <a
    href="https://doi.org/10.3390/cryst12111586">https://doi.org/10.3390/cryst12111586</a>
  bibtex: '@article{Schmidt_Kozub_Gerstmann_Schmidt_Schindlmayr_2022, title={A density-functional
    theory study of hole and defect-bound exciton polarons in lithium niobate}, volume={12},
    DOI={<a href="https://doi.org/10.3390/cryst12111586">10.3390/cryst12111586</a>},
    number={111586}, journal={Crystals}, publisher={MDPI AG}, author={Schmidt, Falko
    and Kozub, Agnieszka L. and Gerstmann, Uwe and Schmidt, Wolf Gero and Schindlmayr,
    Arno}, year={2022} }'
  chicago: Schmidt, Falko, Agnieszka L. Kozub, Uwe Gerstmann, Wolf Gero Schmidt, and
    Arno Schindlmayr. “A Density-Functional Theory Study of Hole and Defect-Bound
    Exciton Polarons in Lithium Niobate.” <i>Crystals</i> 12, no. 11 (2022). <a href="https://doi.org/10.3390/cryst12111586">https://doi.org/10.3390/cryst12111586</a>.
  ieee: 'F. Schmidt, A. L. Kozub, U. Gerstmann, W. G. Schmidt, and A. Schindlmayr,
    “A density-functional theory study of hole and defect-bound exciton polarons in
    lithium niobate,” <i>Crystals</i>, vol. 12, no. 11, Art. no. 1586, 2022, doi:
    <a href="https://doi.org/10.3390/cryst12111586">10.3390/cryst12111586</a>.'
  mla: Schmidt, Falko, et al. “A Density-Functional Theory Study of Hole and Defect-Bound
    Exciton Polarons in Lithium Niobate.” <i>Crystals</i>, vol. 12, no. 11, 1586,
    MDPI AG, 2022, doi:<a href="https://doi.org/10.3390/cryst12111586">10.3390/cryst12111586</a>.
  short: F. Schmidt, A.L. Kozub, U. Gerstmann, W.G. Schmidt, A. Schindlmayr, Crystals
    12 (2022).
date_created: 2023-04-20T13:52:44Z
date_updated: 2025-09-18T13:28:05Z
ddc:
- '530'
department:
- _id: '15'
- _id: '296'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '429'
- _id: '27'
doi: 10.3390/cryst12111586
external_id:
  isi:
  - '000895837200001'
file:
- access_level: open_access
  content_type: application/pdf
  creator: schindlm
  date_created: 2023-06-11T23:59:27Z
  date_updated: 2023-06-12T00:22:51Z
  description: Creative Commons Attribution 4.0 International Public License (CC BY
    4.0)
  file_id: '45570'
  file_name: crystals-12-01586-v2.pdf
  file_size: 1762554
  relation: main_file
  title: A density-functional theory study of hole and defect-bound exciton polarons
    in lithium niobate
file_date_updated: 2023-06-12T00:22:51Z
has_accepted_license: '1'
intvolume: '        12'
isi: '1'
issue: '11'
language:
- iso: eng
oa: '1'
project:
- _id: '53'
  name: 'TRR 142: TRR 142'
- _id: '54'
  name: 'TRR 142 - A: TRR 142 - Project Area A'
- _id: '55'
  name: 'TRR 142 - B: TRR 142 - Project Area B'
- _id: '69'
  name: 'TRR 142 - B04: TRR 142 - Subproject B04'
- _id: '168'
  name: 'TRR 142 - B07: TRR 142 - Subproject B07'
- _id: '166'
  name: 'TRR 142 - A11: TRR 142 - Subproject A11'
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Crystals
publication_identifier:
  eissn:
  - 2073-4352
publication_status: published
publisher: MDPI AG
quality_controlled: '1'
status: public
title: A density-functional theory study of hole and defect-bound exciton polarons
  in lithium niobate
type: journal_article
user_id: '16199'
volume: 12
year: '2022'
...
---
_id: '31937'
author:
- first_name: Yao
  full_name: Li, Yao
  last_name: Li
- first_name: Xuekai
  full_name: Ma, Xuekai
  id: '59416'
  last_name: Ma
- first_name: Zaharias
  full_name: Hatzopoulos, Zaharias
  last_name: Hatzopoulos
- first_name: Pavlos G.
  full_name: Savvidis, Pavlos G.
  last_name: Savvidis
- first_name: Stefan
  full_name: Schumacher, Stefan
  id: '27271'
  last_name: Schumacher
  orcid: 0000-0003-4042-4951
- first_name: Tingge
  full_name: Gao, Tingge
  last_name: Gao
citation:
  ama: Li Y, Ma X, Hatzopoulos Z, Savvidis PG, Schumacher S, Gao T. Switching Off
    a Microcavity Polariton Condensate near the Exceptional Point. <i>ACS Photonics</i>.
    2022;9(6):2079-2086. doi:<a href="https://doi.org/10.1021/acsphotonics.2c00288">10.1021/acsphotonics.2c00288</a>
  apa: Li, Y., Ma, X., Hatzopoulos, Z., Savvidis, P. G., Schumacher, S., &#38; Gao,
    T. (2022). Switching Off a Microcavity Polariton Condensate near the Exceptional
    Point. <i>ACS Photonics</i>, <i>9</i>(6), 2079–2086. <a href="https://doi.org/10.1021/acsphotonics.2c00288">https://doi.org/10.1021/acsphotonics.2c00288</a>
  bibtex: '@article{Li_Ma_Hatzopoulos_Savvidis_Schumacher_Gao_2022, title={Switching
    Off a Microcavity Polariton Condensate near the Exceptional Point}, volume={9},
    DOI={<a href="https://doi.org/10.1021/acsphotonics.2c00288">10.1021/acsphotonics.2c00288</a>},
    number={6}, journal={ACS Photonics}, publisher={American Chemical Society (ACS)},
    author={Li, Yao and Ma, Xuekai and Hatzopoulos, Zaharias and Savvidis, Pavlos
    G. and Schumacher, Stefan and Gao, Tingge}, year={2022}, pages={2079–2086} }'
  chicago: 'Li, Yao, Xuekai Ma, Zaharias Hatzopoulos, Pavlos G. Savvidis, Stefan Schumacher,
    and Tingge Gao. “Switching Off a Microcavity Polariton Condensate near the Exceptional
    Point.” <i>ACS Photonics</i> 9, no. 6 (2022): 2079–86. <a href="https://doi.org/10.1021/acsphotonics.2c00288">https://doi.org/10.1021/acsphotonics.2c00288</a>.'
  ieee: 'Y. Li, X. Ma, Z. Hatzopoulos, P. G. Savvidis, S. Schumacher, and T. Gao,
    “Switching Off a Microcavity Polariton Condensate near the Exceptional Point,”
    <i>ACS Photonics</i>, vol. 9, no. 6, pp. 2079–2086, 2022, doi: <a href="https://doi.org/10.1021/acsphotonics.2c00288">10.1021/acsphotonics.2c00288</a>.'
  mla: Li, Yao, et al. “Switching Off a Microcavity Polariton Condensate near the
    Exceptional Point.” <i>ACS Photonics</i>, vol. 9, no. 6, American Chemical Society
    (ACS), 2022, pp. 2079–86, doi:<a href="https://doi.org/10.1021/acsphotonics.2c00288">10.1021/acsphotonics.2c00288</a>.
  short: Y. Li, X. Ma, Z. Hatzopoulos, P.G. Savvidis, S. Schumacher, T. Gao, ACS Photonics
    9 (2022) 2079–2086.
date_created: 2022-06-19T19:26:12Z
date_updated: 2025-12-05T13:51:31Z
department:
- _id: '15'
- _id: '170'
- _id: '297'
- _id: '705'
- _id: '230'
- _id: '429'
- _id: '35'
doi: 10.1021/acsphotonics.2c00288
intvolume: '         9'
issue: '6'
language:
- iso: eng
page: 2079-2086
project:
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
- _id: '53'
  name: 'TRR 142: TRR 142'
- _id: '54'
  name: 'TRR 142 - A: TRR 142 - Project Area A'
- _id: '61'
  name: 'TRR 142 - A4: TRR 142 - Subproject A4'
- _id: '53'
  name: 'TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten
    zu funktionellen Strukturen'
publication: ACS Photonics
publication_identifier:
  issn:
  - 2330-4022
  - 2330-4022
publication_status: published
publisher: American Chemical Society (ACS)
status: public
title: Switching Off a Microcavity Polariton Condensate near the Exceptional Point
type: journal_article
user_id: '16199'
volume: 9
year: '2022'
...
