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726 Publications


2022 | Journal Article | LibreCat-ID: 37681
P-Terminated InP (001) Surfaces: Surface Band Bending and Reactivity to Water
D.C. Moritz, I.A. Ruiz Alvarado, M.A. Zare Pour, A. Paszuk, T. Frieß, E. Runge, J.P. Hofmann, T. Hannappel, W.G. Schmidt, W. Jaegermann, ACS Applied Materials & Interfaces 14 (2022) 47255–47261.
LibreCat | DOI
 

2022 | Journal Article | LibreCat-ID: 40423
Protonation-induced charge transfer and polaron formation in organic semiconductors doped by Lewis acids
F. Bauch, C.-D. Dong, S. Schumacher, RSC Advances 12 (2022) 13999–14006.
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2022 | Journal Article | LibreCat-ID: 40425
Microscopic Study of Molecular Double Doping
T. Bathe, C.-D. Dong, S. Schumacher, The Journal of Physical Chemistry A 126 (2022) 2075–2081.
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2022 | Journal Article | LibreCat-ID: 37713
Electron–Nuclear Coherent Coupling and Nuclear Spin Readout through Optically Polarized VB Spin States in hBN
F.F. Murzakhanov, G.V. Mamin, S.B. Orlinskii, U. Gerstmann, W.G. Schmidt, T. Biktagirov, I. Aharonovich, A. Gottscholl, A. Sperlich, V. Dyakonov, V.A. Soltamov, Nano Letters 22 (2022) 2718–2724.
LibreCat | DOI
 

2022 | Journal Article | LibreCat-ID: 33965 | OA
Electrochemical performance of KTiOAsO_4 (KTA) in potassium-ion batteries from density-functional theory
A. Bocchini, U. Gerstmann, T. Bartley, H.-G. Steinrück, G. Henkel, W.G. Schmidt, Phys. Rev. Materials 6 (2022) 105401.
LibreCat | Files available | DOI | Download (ext.)
 

2022 | Journal Article | LibreCat-ID: 31254
Oxygen vacancies in KTiOPO_4: Optical absorption from hybrid DFT
A. Bocchini, U. Gerstmann, W.G. Schmidt, Phys. Rev. B 105 (2022) 205118.
LibreCat | DOI
 

2022 | Journal Article | LibreCat-ID: 27375
A PLIC-based method for species mass transfer at free fluid interfaces
A.M. Schulz, C. Wecker, V. Inguva, A.S. Lopatin, E.Y. Kenig, Chemical Engineering Science 250 (2022).
LibreCat | DOI
 

2022 | Journal Article | LibreCat-ID: 28942
Droplet formation –a numerical investigation of liquid-liquid systems with consideration of Marangoni convection
C. Wecker, A.M. Schulz, J. Heine, H.J. Bart, E.Y. Kenig, International Journal of Heat and Mass Transfer 188 (2022).
LibreCat | DOI
 

2022 | Journal Article | LibreCat-ID: 44235
A front-tracking method for two-phase flow simulation with no spurious currents
V. Inguva, E.Y. Kenig, J.B. Perot, Journal of Computational Physics 456 (2022).
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2022 | Journal Article | LibreCat-ID: 30591
Modelling film and rivulet flows on microstructured surfaces using CFD methods
R. Bertling, M. Hack, I. Ausner, B. Horschitz, S.A. Bernemann, E. Kenig, Chemical Engineering Science 251 (2022).
LibreCat | DOI
 

2022 | Conference Paper | LibreCat-ID: 33739 | OA
CausalQA: A Benchmark for Causal Question Answering
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.
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2022 | Preprint | LibreCat-ID: 33493
Roadmap on Electronic Structure Codes in the Exascale Era
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).
LibreCat | arXiv
 

2022 | Conference Paper | LibreCat-ID: 46193 | OA
A High-Fidelity Flow Solver for Unstructured Meshes on Field-Programmable Gate Arrays: Design, Evaluation, and Future Challenges
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.
LibreCat | DOI | Download (ext.)
 

2022 | Preprint | LibreCat-ID: 32404
CP2K on the road to exascale
T. Kühne, C. Plessl, R. Schade, O. Schütt, ArXiv:2205.14741 (2022).
LibreCat | Download (ext.) | arXiv
 

2022 | Journal Article | LibreCat-ID: 33226 | OA
Parallel quantum chemistry on noisy intermediate-scale quantum computers
R. Schade, C. Bauer, K. Tamoev, L. Mazur, C. Plessl, T. Kühne, Phys. Rev. Research 4 (2022) 033160.
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2022 | Preprint | LibreCat-ID: 46275
Roadmap on Electronic Structure Codes in the Exascale Era
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).
LibreCat | arXiv
 

2022 | Journal Article | LibreCat-ID: 33684 | OA
Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms
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).
LibreCat | DOI | Download (ext.)
 

2022 | Journal Article | LibreCat-ID: 27364 LibreCat | DOI
 

2022 | Conference Paper | LibreCat-ID: 33471
Neural Network Based Carrier Frequency Offset Estimation From Speech Transmitted Over High Frequency Channels
J. Heitkämper, J. Schmalenstroeer, R. Haeb-Umbach, in: Proceedings of the 30th European Signal Processing Conference (EUSIPCO), Belgrad, n.d.
LibreCat | Files available
 

2022 | Conference Paper | LibreCat-ID: 33819 | OA
SA-SDR: A Novel Loss Function for Separation of Meeting Style Data
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.
LibreCat | Files available | DOI
 

2022 | Conference Paper | LibreCat-ID: 33847 | OA
MMS-MSG: A Multi-purpose Multi-Speaker Mixture Signal Generator
T. Cord-Landwehr, T. von Neumann, C. Boeddeker, R. Haeb-Umbach, in: 2022 International Workshop on Acoustic Signal Enhancement (IWAENC), 2022.
LibreCat | Files available | arXiv
 

2022 | Conference Paper | LibreCat-ID: 33848 | OA
Monaural source separation: From anechoic to reverberant environments
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.
LibreCat | Files available | arXiv
 

2022 | Report | LibreCat-ID: 49113
Pre-Training And Self-Training For Sound Event Detection In Domestic Environments
J. Ebbers, R. Haeb-Umbach, Pre-Training And Self-Training For Sound Event Detection In Domestic Environments, 2022.
LibreCat | Files available
 

2022 | Journal Article | LibreCat-ID: 30863
Lamb wave based approach to the determination of acoustic material parameters
S. Johannesmann, L. Claes, N. Feldmann, H. Zeipert, B. Henning, Tm - Technisches Messen 89 (2022) 493–506.
LibreCat | DOI
 

2022 | Misc | LibreCat-ID: 6560
Inverses Verfahren zur Bestimmung viskoelastischer Materialparameter
S. Johannesmann, Inverses Verfahren Zur Bestimmung Viskoelastischer Materialparameter, Workshop “Messtechnische Anwendungen von Ultraschall”, Drübeck, 2022.
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2022 | Conference Paper | LibreCat-ID: 33857 | OA
Investigation into Target Speaking Rate Adaptation for Voice Conversion
M. Kuhlmann, F. Seebauer, J. Ebbers, P. Wagner, R. Haeb-Umbach, in: Interspeech 2022, ISCA, 2022.
LibreCat | Files available | DOI | Download (ext.)
 

2022 | Conference Paper | LibreCat-ID: 33509
Far-field Calculation from magnetic Huygens Box Data using the Boundary Element Method
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.
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2022 | Conference Paper | LibreCat-ID: 33808 | OA
Informed vs. Blind Beamforming in Ad-Hoc Acoustic Sensor Networks for Meeting Transcription
T. Gburrek, J. Schmalenstroeer, J. Heitkaemper, R. Haeb-Umbach, in: 2022 International Workshop on Acoustic Signal Enhancement (IWAENC), IEEE, 2022.
LibreCat | Files available | DOI
 

2022 | Misc | LibreCat-ID: 33816 | OA
A Meeting Transcription System for an Ad-Hoc Acoustic Sensor Network
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.
LibreCat | Files available | DOI
 

2022 | Journal Article | LibreCat-ID: 50146
Stable bipolarons in open quantum systems
M. Moroder, M. Grundner, F. Damanet, U. Schollwöck, S. Mardazad, S. Flannigan, T. Köhler, S. Paeckel, Physical Review B 107, 214310 (2023) (2022).
LibreCat | DOI | arXiv
 

2022 | Journal Article | LibreCat-ID: 50148
Statistical analysis of initial state and final state response in heavy-ion collisions
N. Borghini, M. Borrell, N. Feld, H. Roch, S. Schlichting, C. Werthmann, Phys. Rev. C 107 (2023) 034905 (2022).
LibreCat | DOI | arXiv
 

2022 | Journal Article | LibreCat-ID: 50149
Plant mitochondrial RNA editing factors can perform targeted C-to-U editing of nuclear transcripts in human cells
E. Lesch, M.T. Schilling, S. Brenner, Y. Yang, O.J. Gruss, V. Knoop, M. Schallenberg-Rüdinger, Nucleic Acids Research 50 (2022) 9966–9983.
LibreCat | DOI
 

2022 | Preprint | LibreCat-ID: 50224
Effects of strong fringing magnetic fields on turbulent thermal convection
S. Bhattacharya, T. Boeck, D. Krasnov, J. Schumacher, ArXiv:2211.00559 (2022).
LibreCat | arXiv
 

2022 | Journal Article | LibreCat-ID: 44088 | OA
A density-functional theory study of hole and defect-bound exciton polarons in lithium niobate
F. Schmidt, A.L. Kozub, U. Gerstmann, W.G. Schmidt, A. Schindlmayr, Crystals 12 (2022).
LibreCat | Files available | DOI | WoS
 

2021 | Conference Paper | LibreCat-ID: 27365
Towards Performance Characterization of FPGAs in Context of HPC using OpenCL Benchmarks
M. Meyer, in: Proceedings of the 11th International Symposium on Highly Efficient Accelerators and Reconfigurable Technologies, 2021.
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2021 | Journal Article | LibreCat-ID: 21004
AutoML for Multi-Label Classification: Overview and Empirical Evaluation
M.D. Wever, A. Tornede, F. Mohr, E. Hüllermeier, IEEE Transactions on Pattern Analysis and Machine Intelligence (2021) 1–1.
LibreCat | DOI
 

2021 | Journal Article | LibreCat-ID: 21065 | OA
Far-Field Automatic Speech Recognition
R. Haeb-Umbach, J. Heymann, L. Drude, S. Watanabe, M. Delcroix, T. Nakatani, Proceedings of the IEEE 109 (2021) 124–148.
LibreCat | Files available | DOI
 

2021 | Journal Article | LibreCat-ID: 21092
Predicting Machine Learning Pipeline Runtimes in the Context of Automated Machine Learning
F. Mohr, M.D. Wever, A. Tornede, E. Hüllermeier, IEEE Transactions on Pattern Analysis and Machine Intelligence (n.d.).
LibreCat
 

2021 | Journal Article | LibreCat-ID: 21207
Guanine condensates as covalent materials and the concept of cryptopores
J. Kossmann, D. Piankova, N. V. Tarakina, J.J. Heske, T. Kühne, J. Schmidt, M. Antonietti, N. López-Salas, Carbon 172 (2021) 497–505.
LibreCat | DOI
 

2021 | Conference Abstract | LibreCat-ID: 21442
Development of a submodel technique for FFT-based solvers in micromechanical analysis
S.R. Tinkloh, T. Wu, T. Tröster, T. Niendorf, in: 2021.
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2021 | Conference Paper | LibreCat-ID: 21570
Coevolution of Remaining Useful Lifetime Estimation Pipelines for Automated Predictive Maintenance
T. Tornede, A. Tornede, M.D. Wever, E. Hüllermeier, in: Proceedings of the Genetic and Evolutionary Computation Conference, 2021.
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2021 | Conference Abstract | LibreCat-ID: 21573
Stofftransportmessung und -visualisierung am ruhenden und bewegten Einzeltropfen
J. Heine, C. Wecker, E. Kenig, H.-J. Bart, in: Jahrestreffen der ProcessNet-Fachgruppe Extraktion, Online, 2021.
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2021 | Conference Abstract | LibreCat-ID: 21574
Numerische Untersuchung der Marangonikonvektion in Flüssig-Flüssig-Systemen: Von der Tropfenbildung bis zur Tropfeninteraktion
C. Wecker, A. Schulz, J. Heine, H.-J. Bart, E. Kenig, in: Jahrestreffen der ProcessNet-Fachgruppe Extraktion, Online, 2021.
LibreCat
 

2021 | Conference Abstract | LibreCat-ID: 21575
Numerische Untersuchungen zu Fluiddynamik und Stofftransport binärer Tropfeninteraktion unter Berücksichtigung von Marangonikonvektion
C. Wecker, A. Hoppe, A. Schulz, J. Heine, H.-J. Bart, E. Kenig, in: Jahrestreffen der ProcessNet-Fachgruppe Wärme- und Stofftransport, Online, 2021.
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2021 | Conference Abstract | LibreCat-ID: 21576
Mehrkomponenten-Stofftransport an bewegten Phasengrenzflächen unter Berücksichtigung von Diffusionskreuzeffekten
A. Schulz, C. Wecker, E. Kenig, in: Jahrestreffen der ProcessNet-Fachgruppe Mehrphasenströmung, Online, 2021.
LibreCat
 

2021 | Conference Abstract | LibreCat-ID: 23402
CFD-basierte Untersuchung von Zweiphasenströmungen in strukturierten Packungen
R. Bertling, M. Hack, I. Ausner, B. Horschitz, E. Kenig, in: 2021.
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2021 | Conference Paper | LibreCat-ID: 20857 LibreCat | DOI
 

2021 | Conference Paper | LibreCat-ID: 22480
Development of Methods for Coil-Based Localization by Magnetic Fields of Miniaturized Sensor Platforms in Bioprocesses
S. Lange, D. Schröder, C. Hedayat, H. Kuhn, U. Hilleringmann, in: 22nd IEEE International Conference on Industrial Technology (ICIT), IEEE, Valencia, Spain , 2021.
LibreCat | DOI | Download (ext.)
 

2021 | Conference Paper | LibreCat-ID: 21953
Timing Optimization for Virtual FPGA Configurations
L.M. Witschen, T. Wiersema, M. Raeisi Nafchi, A. Bockhorn, M. Platzner, in: F. Hannig, S. Derrien, P. Diniz, D. Chillet (Eds.), Proceedings of International Symposium on Applied Reconfigurable Computing (ARC’21), Springer Lecture Notes in Computer Science, n.d.
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