--- _id: '32240' abstract: - lang: eng text:

The effect of traces of ethanol in supercritical carbon dioxide on the mixture's thermodynamic properties is studied by molecular simulations and Taylor dispersion measurements.

author: - first_name: René Spencer full_name: Chatwell, René Spencer last_name: Chatwell - first_name: Gabriela full_name: Guevara-Carrion, Gabriela last_name: Guevara-Carrion - first_name: Yuri full_name: Gaponenko, Yuri last_name: Gaponenko - first_name: Valentina full_name: Shevtsova, Valentina last_name: Shevtsova - first_name: Jadran full_name: Vrabec, Jadran last_name: Vrabec citation: ama: Chatwell RS, Guevara-Carrion G, Gaponenko Y, Shevtsova V, Vrabec J. Diffusion of the carbon dioxide–ethanol mixture in the extended critical region. Physical Chemistry Chemical Physics. 2021;23(4):3106-3115. doi:10.1039/d0cp04985a apa: Chatwell, R. S., Guevara-Carrion, G., Gaponenko, Y., Shevtsova, V., & Vrabec, J. (2021). Diffusion of the carbon dioxide–ethanol mixture in the extended critical region. Physical Chemistry Chemical Physics, 23(4), 3106–3115. https://doi.org/10.1039/d0cp04985a bibtex: '@article{Chatwell_Guevara-Carrion_Gaponenko_Shevtsova_Vrabec_2021, title={Diffusion of the carbon dioxide–ethanol mixture in the extended critical region}, volume={23}, DOI={10.1039/d0cp04985a}, number={4}, journal={Physical Chemistry Chemical Physics}, publisher={Royal Society of Chemistry (RSC)}, author={Chatwell, René Spencer and Guevara-Carrion, Gabriela and Gaponenko, Yuri and Shevtsova, Valentina and Vrabec, Jadran}, year={2021}, pages={3106–3115} }' chicago: 'Chatwell, René Spencer, Gabriela Guevara-Carrion, Yuri Gaponenko, Valentina Shevtsova, and Jadran Vrabec. “Diffusion of the Carbon Dioxide–Ethanol Mixture in the Extended Critical Region.” Physical Chemistry Chemical Physics 23, no. 4 (2021): 3106–15. https://doi.org/10.1039/d0cp04985a.' ieee: 'R. S. Chatwell, G. Guevara-Carrion, Y. Gaponenko, V. Shevtsova, and J. Vrabec, “Diffusion of the carbon dioxide–ethanol mixture in the extended critical region,” Physical Chemistry Chemical Physics, vol. 23, no. 4, pp. 3106–3115, 2021, doi: 10.1039/d0cp04985a.' mla: Chatwell, René Spencer, et al. “Diffusion of the Carbon Dioxide–Ethanol Mixture in the Extended Critical Region.” Physical Chemistry Chemical Physics, vol. 23, no. 4, Royal Society of Chemistry (RSC), 2021, pp. 3106–15, doi:10.1039/d0cp04985a. short: R.S. Chatwell, G. Guevara-Carrion, Y. Gaponenko, V. Shevtsova, J. Vrabec, Physical Chemistry Chemical Physics 23 (2021) 3106–3115. date_created: 2022-06-28T07:23:22Z date_updated: 2023-09-27T10:24:39Z department: - _id: '27' doi: 10.1039/d0cp04985a intvolume: ' 23' issue: '4' keyword: - Physical and Theoretical Chemistry - General Physics and Astronomy language: - iso: eng page: 3106-3115 publication: Physical Chemistry Chemical Physics publication_identifier: issn: - 1463-9076 - 1463-9084 publication_status: published publisher: Royal Society of Chemistry (RSC) quality_controlled: '1' status: public title: Diffusion of the carbon dioxide–ethanol mixture in the extended critical region type: journal_article user_id: '15278' volume: 23 year: '2021' ... --- _id: '40250' author: - first_name: Mitisha full_name: Jain, Mitisha last_name: Jain - 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: Hazem full_name: Aldahhak, Hazem last_name: Aldahhak citation: ama: Jain M, Gerstmann U, Schmidt WG, Aldahhak H. Adatom mediated adsorption of            <scp>N‐heterocyclic</scp>            carbenes on Cu(111) and Au(111). Journal of Computational Chemistry. 2021;43(6):413-420. doi:10.1002/jcc.26801 apa: Jain, M., Gerstmann, U., Schmidt, W. G., & Aldahhak, H. (2021). Adatom mediated adsorption of            <scp>N‐heterocyclic</scp>            carbenes on Cu(111) and Au(111). Journal of Computational Chemistry, 43(6), 413–420. https://doi.org/10.1002/jcc.26801 bibtex: '@article{Jain_Gerstmann_Schmidt_Aldahhak_2021, title={Adatom mediated adsorption of            <scp>N‐heterocyclic</scp>            carbenes on Cu(111) and Au(111)}, volume={43}, DOI={10.1002/jcc.26801}, number={6}, journal={Journal of Computational Chemistry}, publisher={Wiley}, author={Jain, Mitisha and Gerstmann, Uwe and Schmidt, Wolf Gero and Aldahhak, Hazem}, year={2021}, pages={413–420} }' chicago: 'Jain, Mitisha, Uwe Gerstmann, Wolf Gero Schmidt, and Hazem Aldahhak. “Adatom Mediated Adsorption of            <scp>N‐heterocyclic</Scp>            Carbenes on Cu(111) and Au(111).” Journal of Computational Chemistry 43, no. 6 (2021): 413–20. https://doi.org/10.1002/jcc.26801.' ieee: 'M. Jain, U. Gerstmann, W. G. Schmidt, and H. Aldahhak, “Adatom mediated adsorption of            <scp>N‐heterocyclic</scp>            carbenes on Cu(111) and Au(111),” Journal of Computational Chemistry, vol. 43, no. 6, pp. 413–420, 2021, doi: 10.1002/jcc.26801.' mla: Jain, Mitisha, et al. “Adatom Mediated Adsorption of            <scp>N‐heterocyclic</Scp>            Carbenes on Cu(111) and Au(111).” Journal of Computational Chemistry, vol. 43, no. 6, Wiley, 2021, pp. 413–20, doi:10.1002/jcc.26801. short: M. Jain, U. Gerstmann, W.G. Schmidt, H. Aldahhak, Journal of Computational Chemistry 43 (2021) 413–420. date_created: 2023-01-26T09:50:26Z date_updated: 2025-12-05T13:57:51Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '230' - _id: '35' - _id: '790' - _id: '27' doi: 10.1002/jcc.26801 intvolume: ' 43' issue: '6' keyword: - Computational Mathematics - General Chemistry language: - iso: eng page: 413-420 project: - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' publication: Journal of Computational Chemistry publication_identifier: issn: - 0192-8651 - 1096-987X publication_status: published publisher: Wiley status: public title: Adatom mediated adsorption of N‐heterocyclic carbenes on Cu(111) and Au(111) type: journal_article user_id: '16199' volume: 43 year: '2021' ... --- _id: '29747' author: - first_name: Hans full_name: Jurgen von Bardeleben, Hans last_name: Jurgen von Bardeleben - first_name: Jean-Louis full_name: Cantin, Jean-Louis last_name: Cantin - 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: Timur full_name: Biktagirov, Timur id: '65612' last_name: Biktagirov citation: ama: Jurgen von Bardeleben H, Cantin J-L, Gerstmann U, Schmidt WG, Biktagirov T. Spin Polarization, Electron–Phonon Coupling, and Zero-Phonon Line of the NV Center in 3C-SiC. Nano Letters. 2021;21(19):8119-8125. doi:10.1021/acs.nanolett.1c02564 apa: Jurgen von Bardeleben, H., Cantin, J.-L., Gerstmann, U., Schmidt, W. G., & Biktagirov, T. (2021). Spin Polarization, Electron–Phonon Coupling, and Zero-Phonon Line of the NV Center in 3C-SiC. Nano Letters, 21(19), 8119–8125. https://doi.org/10.1021/acs.nanolett.1c02564 bibtex: '@article{Jurgen von Bardeleben_Cantin_Gerstmann_Schmidt_Biktagirov_2021, title={Spin Polarization, Electron–Phonon Coupling, and Zero-Phonon Line of the NV Center in 3C-SiC}, volume={21}, DOI={10.1021/acs.nanolett.1c02564}, number={19}, journal={Nano Letters}, publisher={American Chemical Society (ACS)}, author={Jurgen von Bardeleben, Hans and Cantin, Jean-Louis and Gerstmann, Uwe and Schmidt, Wolf Gero and Biktagirov, Timur}, year={2021}, pages={8119–8125} }' chicago: 'Jurgen von Bardeleben, Hans, Jean-Louis Cantin, Uwe Gerstmann, Wolf Gero Schmidt, and Timur Biktagirov. “Spin Polarization, Electron–Phonon Coupling, and Zero-Phonon Line of the NV Center in 3C-SiC.” Nano Letters 21, no. 19 (2021): 8119–25. https://doi.org/10.1021/acs.nanolett.1c02564.' ieee: 'H. Jurgen von Bardeleben, J.-L. Cantin, U. Gerstmann, W. G. Schmidt, and T. Biktagirov, “Spin Polarization, Electron–Phonon Coupling, and Zero-Phonon Line of the NV Center in 3C-SiC,” Nano Letters, vol. 21, no. 19, pp. 8119–8125, 2021, doi: 10.1021/acs.nanolett.1c02564.' mla: Jurgen von Bardeleben, Hans, et al. “Spin Polarization, Electron–Phonon Coupling, and Zero-Phonon Line of the NV Center in 3C-SiC.” Nano Letters, vol. 21, no. 19, American Chemical Society (ACS), 2021, pp. 8119–25, doi:10.1021/acs.nanolett.1c02564. short: H. Jurgen von Bardeleben, J.-L. Cantin, U. Gerstmann, W.G. Schmidt, T. Biktagirov, Nano Letters 21 (2021) 8119–8125. date_created: 2022-02-03T15:33:41Z date_updated: 2025-12-05T14:03:24Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '230' - _id: '429' - _id: '35' - _id: '790' - _id: '27' doi: 10.1021/acs.nanolett.1c02564 intvolume: ' 21' issue: '19' keyword: - Mechanical Engineering - Condensed Matter Physics - General Materials Science - General Chemistry - Bioengineering language: - iso: eng page: 8119-8125 project: - _id: '53' name: 'TRR 142: TRR 142' - _id: '55' name: 'TRR 142 - B: TRR 142 - Project Area B' - _id: '69' name: 'TRR 142 - B4: TRR 142 - Subproject B4' - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' - _id: '53' name: 'TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen' publication: Nano Letters publication_identifier: issn: - 1530-6984 - 1530-6992 publication_status: published publisher: American Chemical Society (ACS) status: public title: Spin Polarization, Electron–Phonon Coupling, and Zero-Phonon Line of the NV Center in 3C-SiC type: journal_article user_id: '16199' volume: 21 year: '2021' ... --- _id: '29749' author: - first_name: F. F. full_name: Murzakhanov, F. F. last_name: Murzakhanov - first_name: B. V. full_name: Yavkin, B. V. last_name: Yavkin - first_name: G. V. full_name: Mamin, G. V. last_name: Mamin - first_name: S. B. full_name: Orlinskii, S. B. last_name: Orlinskii - first_name: H. J. full_name: von Bardeleben, H. J. last_name: von Bardeleben - first_name: Timur full_name: Biktagirov, Timur id: '65612' last_name: Biktagirov - first_name: Uwe full_name: Gerstmann, Uwe id: '171' last_name: Gerstmann orcid: 0000-0002-4476-223X - first_name: V. A. full_name: Soltamov, V. A. last_name: Soltamov citation: ama: Murzakhanov FF, Yavkin BV, Mamin GV, et al. Hyperfine and nuclear quadrupole splitting of the NV− ground state in 4H-SiC. Physical Review B. 2021;103:245203. doi:10.1103/physrevb.103.245203 apa: Murzakhanov, F. F., Yavkin, B. V., Mamin, G. V., Orlinskii, S. B., von Bardeleben, H. J., Biktagirov, T., Gerstmann, U., & Soltamov, V. A. (2021). Hyperfine and nuclear quadrupole splitting of the NV− ground state in 4H-SiC. Physical Review B, 103, 245203. https://doi.org/10.1103/physrevb.103.245203 bibtex: '@article{Murzakhanov_Yavkin_Mamin_Orlinskii_von Bardeleben_Biktagirov_Gerstmann_Soltamov_2021, title={Hyperfine and nuclear quadrupole splitting of the NV− ground state in 4H-SiC}, volume={103}, DOI={10.1103/physrevb.103.245203}, journal={Physical Review B}, publisher={American Physical Society (APS)}, author={Murzakhanov, F. F. and Yavkin, B. V. and Mamin, G. V. and Orlinskii, S. B. and von Bardeleben, H. J. and Biktagirov, Timur and Gerstmann, Uwe and Soltamov, V. A.}, year={2021}, pages={245203} }' chicago: 'Murzakhanov, F. F., B. V. Yavkin, G. V. Mamin, S. B. Orlinskii, H. J. von Bardeleben, Timur Biktagirov, Uwe Gerstmann, and V. A. Soltamov. “Hyperfine and Nuclear Quadrupole Splitting of the NV− Ground State in 4H-SiC.” Physical Review B 103 (2021): 245203. https://doi.org/10.1103/physrevb.103.245203.' ieee: 'F. F. Murzakhanov et al., “Hyperfine and nuclear quadrupole splitting of the NV− ground state in 4H-SiC,” Physical Review B, vol. 103, p. 245203, 2021, doi: 10.1103/physrevb.103.245203.' mla: Murzakhanov, F. F., et al. “Hyperfine and Nuclear Quadrupole Splitting of the NV− Ground State in 4H-SiC.” Physical Review B, vol. 103, American Physical Society (APS), 2021, p. 245203, doi:10.1103/physrevb.103.245203. short: F.F. Murzakhanov, B.V. Yavkin, G.V. Mamin, S.B. Orlinskii, H.J. von Bardeleben, T. Biktagirov, U. Gerstmann, V.A. Soltamov, Physical Review B 103 (2021) 245203. date_created: 2022-02-03T15:39:59Z date_updated: 2025-12-05T14:02:11Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '790' - _id: '35' - _id: '27' doi: 10.1103/physrevb.103.245203 intvolume: ' 103' language: - iso: eng page: '245203' project: - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' publication: Physical Review B publication_identifier: issn: - 2469-9950 - 2469-9969 publication_status: published publisher: American Physical Society (APS) status: public title: Hyperfine and nuclear quadrupole splitting of the NV− ground state in 4H-SiC type: journal_article user_id: '16199' volume: 103 year: '2021' ... --- _id: '22010' author: - first_name: Hazem full_name: Aldahhak, Hazem last_name: Aldahhak - first_name: Conor full_name: Hogan, Conor last_name: Hogan - first_name: Susi full_name: Lindner, Susi last_name: Lindner - first_name: Stephan full_name: Appelfeller, Stephan last_name: Appelfeller - first_name: Holger full_name: Eisele, Holger last_name: Eisele - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: Mario full_name: Dähne, Mario last_name: Dähne - first_name: Uwe full_name: Gerstmann, Uwe id: '171' last_name: Gerstmann orcid: 0000-0002-4476-223X - first_name: Martin full_name: Franz, Martin last_name: Franz citation: ama: Aldahhak H, Hogan C, Lindner S, et al. Electronic structure of the Si(111)3×3R30∘−B surface from theory and photoemission spectroscopy. Physical Review B. 2021;103:035303. doi:10.1103/physrevb.103.035303 apa: Aldahhak, H., Hogan, C., Lindner, S., Appelfeller, S., Eisele, H., Schmidt, W. G., Dähne, M., Gerstmann, U., & Franz, M. (2021). Electronic structure of the Si(111)3×3R30∘−B surface from theory and photoemission spectroscopy. Physical Review B, 103, 035303. https://doi.org/10.1103/physrevb.103.035303 bibtex: '@article{Aldahhak_Hogan_Lindner_Appelfeller_Eisele_Schmidt_Dähne_Gerstmann_Franz_2021, title={Electronic structure of the Si(111)3×3R30∘−B surface from theory and photoemission spectroscopy}, volume={103}, DOI={10.1103/physrevb.103.035303}, journal={Physical Review B}, author={Aldahhak, Hazem and Hogan, Conor and Lindner, Susi and Appelfeller, Stephan and Eisele, Holger and Schmidt, Wolf Gero and Dähne, Mario and Gerstmann, Uwe and Franz, Martin}, year={2021}, pages={035303} }' chicago: 'Aldahhak, Hazem, Conor Hogan, Susi Lindner, Stephan Appelfeller, Holger Eisele, Wolf Gero Schmidt, Mario Dähne, Uwe Gerstmann, and Martin Franz. “Electronic Structure of the Si(111)3×3R30∘−B Surface from Theory and Photoemission Spectroscopy.” Physical Review B 103 (2021): 035303. https://doi.org/10.1103/physrevb.103.035303.' ieee: 'H. Aldahhak et al., “Electronic structure of the Si(111)3×3R30∘−B surface from theory and photoemission spectroscopy,” Physical Review B, vol. 103, p. 035303, 2021, doi: 10.1103/physrevb.103.035303.' mla: Aldahhak, Hazem, et al. “Electronic Structure of the Si(111)3×3R30∘−B Surface from Theory and Photoemission Spectroscopy.” Physical Review B, vol. 103, 2021, p. 035303, doi:10.1103/physrevb.103.035303. short: H. Aldahhak, C. Hogan, S. Lindner, S. Appelfeller, H. Eisele, W.G. Schmidt, M. Dähne, U. Gerstmann, M. Franz, Physical Review B 103 (2021) 035303. date_created: 2021-05-06T12:53:14Z date_updated: 2025-12-05T13:58:37Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '230' - _id: '429' - _id: '35' - _id: '790' - _id: '27' doi: 10.1103/physrevb.103.035303 intvolume: ' 103' language: - iso: eng page: '035303' project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing - _id: '53' name: TRR 142 - _id: '55' name: TRR 142 - Project Area B - _id: '69' name: TRR 142 - Subproject B4 - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' - _id: '53' name: 'TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen' publication: Physical Review B publication_identifier: issn: - 2469-9950 - 2469-9969 publication_status: published status: public title: Electronic structure of the Si(111)3×3R30∘−B surface from theory and photoemission spectroscopy type: journal_article user_id: '16199' volume: 103 year: '2021' ... --- _id: '21360' author: - first_name: Samuel M. H. full_name: Luk, Samuel M. H. last_name: Luk - first_name: Hadrien full_name: Vergnet, Hadrien last_name: Vergnet - first_name: Ombline full_name: Lafont, Ombline last_name: Lafont - first_name: Przemyslaw full_name: Lewandowski, Przemyslaw last_name: Lewandowski - first_name: Nai H. full_name: Kwong, Nai H. last_name: Kwong - first_name: Elisabeth full_name: Galopin, Elisabeth last_name: Galopin - first_name: Aristide full_name: Lemaitre, Aristide last_name: Lemaitre - first_name: Philippe full_name: Roussignol, Philippe last_name: Roussignol - first_name: Jérôme full_name: Tignon, Jérôme last_name: Tignon - first_name: Stefan full_name: Schumacher, Stefan id: '27271' last_name: Schumacher orcid: 0000-0003-4042-4951 - first_name: Rolf full_name: Binder, Rolf last_name: Binder - first_name: Emmanuel full_name: Baudin, Emmanuel last_name: Baudin citation: ama: Luk SMH, Vergnet H, Lafont O, et al. All-Optical Beam Steering Using the Polariton Lighthouse Effect. ACS Photonics. Published online 2021:449-454. doi:10.1021/acsphotonics.0c01962 apa: Luk, S. M. H., Vergnet, H., Lafont, O., Lewandowski, P., Kwong, N. H., Galopin, E., Lemaitre, A., Roussignol, P., Tignon, J., Schumacher, S., Binder, R., & Baudin, E. (2021). All-Optical Beam Steering Using the Polariton Lighthouse Effect. ACS Photonics, 449–454. https://doi.org/10.1021/acsphotonics.0c01962 bibtex: '@article{Luk_Vergnet_Lafont_Lewandowski_Kwong_Galopin_Lemaitre_Roussignol_Tignon_Schumacher_et al._2021, title={All-Optical Beam Steering Using the Polariton Lighthouse Effect}, DOI={10.1021/acsphotonics.0c01962}, journal={ACS Photonics}, author={Luk, Samuel M. H. and Vergnet, Hadrien and Lafont, Ombline and Lewandowski, Przemyslaw and Kwong, Nai H. and Galopin, Elisabeth and Lemaitre, Aristide and Roussignol, Philippe and Tignon, Jérôme and Schumacher, Stefan and et al.}, year={2021}, pages={449–454} }' chicago: Luk, Samuel M. H., Hadrien Vergnet, Ombline Lafont, Przemyslaw Lewandowski, Nai H. Kwong, Elisabeth Galopin, Aristide Lemaitre, et al. “All-Optical Beam Steering Using the Polariton Lighthouse Effect.” ACS Photonics, 2021, 449–54. https://doi.org/10.1021/acsphotonics.0c01962. ieee: 'S. M. H. Luk et al., “All-Optical Beam Steering Using the Polariton Lighthouse Effect,” ACS Photonics, pp. 449–454, 2021, doi: 10.1021/acsphotonics.0c01962.' mla: Luk, Samuel M. H., et al. “All-Optical Beam Steering Using the Polariton Lighthouse Effect.” ACS Photonics, 2021, pp. 449–54, doi:10.1021/acsphotonics.0c01962. short: S.M.H. Luk, H. Vergnet, O. Lafont, P. Lewandowski, N.H. Kwong, E. Galopin, A. Lemaitre, P. Roussignol, J. Tignon, S. Schumacher, R. Binder, E. Baudin, ACS Photonics (2021) 449–454. date_created: 2021-03-02T10:26:56Z date_updated: 2025-12-16T11:12:33Z department: - _id: '15' - _id: '170' - _id: '297' - _id: '230' - _id: '35' - _id: '27' doi: 10.1021/acsphotonics.0c01962 language: - iso: eng page: 449-454 project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' publication: ACS Photonics publication_identifier: issn: - 2330-4022 - 2330-4022 publication_status: published status: public title: All-Optical Beam Steering Using the Polariton Lighthouse Effect type: journal_article user_id: '16199' year: '2021' ... --- _id: '40433' author: - first_name: Chuan-Ding full_name: Dong, Chuan-Ding id: '67188' last_name: Dong - first_name: Stefan full_name: Schumacher, Stefan id: '27271' last_name: Schumacher orcid: 0000-0003-4042-4951 citation: ama: Dong C-D, Schumacher S. Microscopic Insights into Charge Formation and Energetics in n-Doped Organic Semiconductors. The Journal of Physical Chemistry C. 2021;125(40):21824-21830. doi:10.1021/acs.jpcc.1c05666 apa: Dong, C.-D., & Schumacher, S. (2021). Microscopic Insights into Charge Formation and Energetics in n-Doped Organic Semiconductors. The Journal of Physical Chemistry C, 125(40), 21824–21830. https://doi.org/10.1021/acs.jpcc.1c05666 bibtex: '@article{Dong_Schumacher_2021, title={Microscopic Insights into Charge Formation and Energetics in n-Doped Organic Semiconductors}, volume={125}, DOI={10.1021/acs.jpcc.1c05666}, number={40}, journal={The Journal of Physical Chemistry C}, publisher={American Chemical Society (ACS)}, author={Dong, Chuan-Ding and Schumacher, Stefan}, year={2021}, pages={21824–21830} }' chicago: 'Dong, Chuan-Ding, and Stefan Schumacher. “Microscopic Insights into Charge Formation and Energetics in N-Doped Organic Semiconductors.” The Journal of Physical Chemistry C 125, no. 40 (2021): 21824–30. https://doi.org/10.1021/acs.jpcc.1c05666.' ieee: 'C.-D. Dong and S. Schumacher, “Microscopic Insights into Charge Formation and Energetics in n-Doped Organic Semiconductors,” The Journal of Physical Chemistry C, vol. 125, no. 40, pp. 21824–21830, 2021, doi: 10.1021/acs.jpcc.1c05666.' mla: Dong, Chuan-Ding, and Stefan Schumacher. “Microscopic Insights into Charge Formation and Energetics in N-Doped Organic Semiconductors.” The Journal of Physical Chemistry C, vol. 125, no. 40, American Chemical Society (ACS), 2021, pp. 21824–30, doi:10.1021/acs.jpcc.1c05666. short: C.-D. Dong, S. Schumacher, The Journal of Physical Chemistry C 125 (2021) 21824–21830. date_created: 2023-01-26T15:49:13Z date_updated: 2025-12-16T11:17:39Z department: - _id: '15' - _id: '170' - _id: '297' - _id: '230' - _id: '35' - _id: '27' doi: 10.1021/acs.jpcc.1c05666 intvolume: ' 125' issue: '40' keyword: - Surfaces - Coatings and Films - Physical and Theoretical Chemistry - General Energy - Electronic - Optical and Magnetic Materials language: - iso: eng page: 21824-21830 project: - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' publication: The Journal of Physical Chemistry C publication_identifier: issn: - 1932-7447 - 1932-7455 publication_status: published publisher: American Chemical Society (ACS) status: public title: Microscopic Insights into Charge Formation and Energetics in n-Doped Organic Semiconductors type: journal_article user_id: '16199' volume: 125 year: '2021' ... --- _id: '18789' author: - first_name: Tobias full_name: Nickchen, Tobias last_name: Nickchen - first_name: Gregor full_name: Engels, Gregor last_name: Engels - first_name: Johannes full_name: Lohn, Johannes last_name: Lohn citation: ama: 'Nickchen T, Engels G, Lohn J. Opportunities of 3D Machine Learning for Manufacturability Analysis and Component Recognition in the Additive Manufacturing Process Chain. In: Industrializing Additive Manufacturing. Cham; 2020. doi:10.1007/978-3-030-54334-1_4' apa: Nickchen, T., Engels, G., & Lohn, J. (2020). Opportunities of 3D Machine Learning for Manufacturability Analysis and Component Recognition in the Additive Manufacturing Process Chain. In Industrializing Additive Manufacturing. Cham. https://doi.org/10.1007/978-3-030-54334-1_4 bibtex: '@inbook{Nickchen_Engels_Lohn_2020, place={Cham}, title={Opportunities of 3D Machine Learning for Manufacturability Analysis and Component Recognition in the Additive Manufacturing Process Chain}, DOI={10.1007/978-3-030-54334-1_4}, booktitle={Industrializing Additive Manufacturing}, author={Nickchen, Tobias and Engels, Gregor and Lohn, Johannes}, year={2020} }' chicago: Nickchen, Tobias, Gregor Engels, and Johannes Lohn. “Opportunities of 3D Machine Learning for Manufacturability Analysis and Component Recognition in the Additive Manufacturing Process Chain.” In Industrializing Additive Manufacturing. Cham, 2020. https://doi.org/10.1007/978-3-030-54334-1_4. ieee: T. Nickchen, G. Engels, and J. Lohn, “Opportunities of 3D Machine Learning for Manufacturability Analysis and Component Recognition in the Additive Manufacturing Process Chain,” in Industrializing Additive Manufacturing, Cham, 2020. mla: Nickchen, Tobias, et al. “Opportunities of 3D Machine Learning for Manufacturability Analysis and Component Recognition in the Additive Manufacturing Process Chain.” Industrializing Additive Manufacturing, 2020, doi:10.1007/978-3-030-54334-1_4. short: 'T. Nickchen, G. Engels, J. Lohn, in: Industrializing Additive Manufacturing, Cham, 2020.' conference: end_date: 2020-09-03 start_date: 2020-09-01 date_created: 2020-09-01T13:49:42Z date_updated: 2022-01-06T06:53:52Z ddc: - '000' department: - _id: '534' - _id: '624' - _id: '27' - _id: '66' - _id: '219' doi: 10.1007/978-3-030-54334-1_4 language: - iso: eng place: Cham publication: Industrializing Additive Manufacturing publication_identifier: isbn: - '9783030543334' - '9783030543341' publication_status: published status: public title: Opportunities of 3D Machine Learning for Manufacturability Analysis and Component Recognition in the Additive Manufacturing Process Chain type: book_chapter user_id: '27340' year: '2020' ... --- _id: '32246' abstract: - lang: eng text:

State-of-the-art methods in materials science such as artificial intelligence and data-driven techniques advance the investigation of photovoltaic materials.

author: - first_name: Hossein full_name: Mirhosseini, Hossein last_name: Mirhosseini - first_name: Ramya full_name: Kormath Madam Raghupathy, Ramya last_name: Kormath Madam Raghupathy - first_name: Sudhir K. full_name: Sahoo, Sudhir K. last_name: Sahoo - first_name: Hendrik full_name: Wiebeler, Hendrik last_name: Wiebeler - first_name: Manjusha full_name: Chugh, Manjusha last_name: Chugh - first_name: Thomas D. full_name: Kühne, Thomas D. last_name: Kühne citation: ama: Mirhosseini H, Kormath Madam Raghupathy R, Sahoo SK, Wiebeler H, Chugh M, Kühne TD. In silico investigation of Cu(In,Ga)Se2-based solar cells. Physical Chemistry Chemical Physics. 2020;22(46):26682-26701. doi:10.1039/d0cp04712k apa: Mirhosseini, H., Kormath Madam Raghupathy, R., Sahoo, S. K., Wiebeler, H., Chugh, M., & Kühne, T. D. (2020). In silico investigation of Cu(In,Ga)Se2-based solar cells. Physical Chemistry Chemical Physics, 22(46), 26682–26701. https://doi.org/10.1039/d0cp04712k bibtex: '@article{Mirhosseini_Kormath Madam Raghupathy_Sahoo_Wiebeler_Chugh_Kühne_2020, title={In silico investigation of Cu(In,Ga)Se2-based solar cells}, volume={22}, DOI={10.1039/d0cp04712k}, number={46}, journal={Physical Chemistry Chemical Physics}, publisher={Royal Society of Chemistry (RSC)}, author={Mirhosseini, Hossein and Kormath Madam Raghupathy, Ramya and Sahoo, Sudhir K. and Wiebeler, Hendrik and Chugh, Manjusha and Kühne, Thomas D.}, year={2020}, pages={26682–26701} }' chicago: 'Mirhosseini, Hossein, Ramya Kormath Madam Raghupathy, Sudhir K. Sahoo, Hendrik Wiebeler, Manjusha Chugh, and Thomas D. Kühne. “In Silico Investigation of Cu(In,Ga)Se2-Based Solar Cells.” Physical Chemistry Chemical Physics 22, no. 46 (2020): 26682–701. https://doi.org/10.1039/d0cp04712k.' ieee: 'H. Mirhosseini, R. Kormath Madam Raghupathy, S. K. Sahoo, H. Wiebeler, M. Chugh, and T. D. Kühne, “In silico investigation of Cu(In,Ga)Se2-based solar cells,” Physical Chemistry Chemical Physics, vol. 22, no. 46, pp. 26682–26701, 2020, doi: 10.1039/d0cp04712k.' mla: Mirhosseini, Hossein, et al. “In Silico Investigation of Cu(In,Ga)Se2-Based Solar Cells.” Physical Chemistry Chemical Physics, vol. 22, no. 46, Royal Society of Chemistry (RSC), 2020, pp. 26682–701, doi:10.1039/d0cp04712k. short: H. Mirhosseini, R. Kormath Madam Raghupathy, S.K. Sahoo, H. Wiebeler, M. Chugh, T.D. Kühne, Physical Chemistry Chemical Physics 22 (2020) 26682–26701. date_created: 2022-06-28T08:02:39Z date_updated: 2022-06-28T08:03:05Z department: - _id: '27' doi: 10.1039/d0cp04712k intvolume: ' 22' issue: '46' keyword: - Physical and Theoretical Chemistry - General Physics and Astronomy language: - iso: eng page: 26682-26701 project: - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' publication: Physical Chemistry Chemical Physics publication_identifier: issn: - 1463-9076 - 1463-9084 publication_status: published publisher: Royal Society of Chemistry (RSC) status: public title: In silico investigation of Cu(In,Ga)Se2-based solar cells type: journal_article user_id: '15278' volume: 22 year: '2020' ... --- _id: '32242' abstract: - lang: eng text: "We consider a resource-aware variant of the classical multi-armed bandit\r\nproblem: In each round, the learner selects an arm and determines a resource\r\nlimit. It then observes a corresponding (random) reward, provided the (random)\r\namount of consumed resources remains below the limit. Otherwise, the\r\nobservation is censored, i.e., no reward is obtained. For this problem setting,\r\nwe introduce a measure of regret, which incorporates the actual amount of\r\nallocated resources of each learning round as well as the optimality of\r\nrealizable rewards. Thus, to minimize regret, the learner needs to set a\r\nresource limit and choose an arm in such a way that the chance to realize a\r\nhigh reward within the predefined resource limit is high, while the resource\r\nlimit itself should be kept as low as possible. We derive the theoretical lower\r\nbound on the cumulative regret and propose a learning algorithm having a regret\r\nupper bound that matches the lower bound. In a simulation study, we show that\r\nour learning algorithm outperforms straightforward extensions of standard\r\nmulti-armed bandit algorithms." author: - first_name: Viktor full_name: Bengs, Viktor last_name: Bengs - first_name: Eyke full_name: Hüllermeier, Eyke last_name: Hüllermeier citation: ama: Bengs V, Hüllermeier E. Multi-Armed Bandits with Censored Consumption of Resources. arXiv:201100813. Published online 2020. apa: Bengs, V., & Hüllermeier, E. (2020). Multi-Armed Bandits with Censored Consumption of Resources. In arXiv:2011.00813. bibtex: '@article{Bengs_Hüllermeier_2020, title={Multi-Armed Bandits with Censored Consumption of Resources}, journal={arXiv:2011.00813}, author={Bengs, Viktor and Hüllermeier, Eyke}, year={2020} }' chicago: Bengs, Viktor, and Eyke Hüllermeier. “Multi-Armed Bandits with Censored Consumption of Resources.” ArXiv:2011.00813, 2020. ieee: V. Bengs and E. Hüllermeier, “Multi-Armed Bandits with Censored Consumption of Resources,” arXiv:2011.00813. 2020. mla: Bengs, Viktor, and Eyke Hüllermeier. “Multi-Armed Bandits with Censored Consumption of Resources.” ArXiv:2011.00813, 2020. short: V. Bengs, E. Hüllermeier, ArXiv:2011.00813 (2020). date_created: 2022-06-28T07:26:54Z date_updated: 2022-06-28T07:27:19Z department: - _id: '27' external_id: arxiv: - '2011.00813' language: - iso: eng project: - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' publication: arXiv:2011.00813 status: public title: Multi-Armed Bandits with Censored Consumption of Resources type: preprint user_id: '15278' year: '2020' ... --- _id: '16277' abstract: - lang: eng text: CP2K is an open source electronic structure and molecular dynamics software package to perform atomistic simulations of solid-state, liquid, molecular, and biological systems. It is especially aimed at massively parallel and linear-scaling electronic structure methods and state-of-theart ab initio molecular dynamics simulations. Excellent performance for electronic structure calculations is achieved using novel algorithms implemented for modern high-performance computing systems. This review revisits the main capabilities of CP2K to perform efficient and accurate electronic structure simulations. The emphasis is put on density functional theory and multiple post–Hartree–Fock methods using the Gaussian and plane wave approach and its augmented all-electron extension. article_number: '194103' author: - first_name: Thomas full_name: Kühne, Thomas id: '49079' last_name: Kühne - first_name: Marcella full_name: Iannuzzi, Marcella last_name: Iannuzzi - first_name: Mauro Del full_name: Ben, Mauro Del last_name: Ben - first_name: Vladimir V. full_name: Rybkin, Vladimir V. last_name: Rybkin - first_name: Patrick full_name: Seewald, Patrick last_name: Seewald - first_name: Frederick full_name: Stein, Frederick last_name: Stein - first_name: Teodoro full_name: Laino, Teodoro last_name: Laino - first_name: Rustam Z. full_name: Khaliullin, Rustam Z. last_name: Khaliullin - first_name: Ole full_name: Schütt, Ole last_name: Schütt - first_name: Florian full_name: Schiffmann, Florian last_name: Schiffmann - first_name: Dorothea full_name: Golze, Dorothea last_name: Golze - first_name: Jan full_name: Wilhelm, Jan last_name: Wilhelm - first_name: Sergey full_name: Chulkov, Sergey last_name: Chulkov - first_name: Mohammad Hossein Bani-Hashemian full_name: Mohammad Hossein Bani-Hashemian, Mohammad Hossein Bani-Hashemian last_name: Mohammad Hossein Bani-Hashemian - first_name: Valéry full_name: Weber, Valéry last_name: Weber - first_name: Urban full_name: Borstnik, Urban last_name: Borstnik - first_name: Mathieu full_name: Taillefumier, Mathieu last_name: Taillefumier - first_name: Alice Shoshana full_name: Jakobovits, Alice Shoshana last_name: Jakobovits - first_name: Alfio full_name: Lazzaro, Alfio last_name: Lazzaro - first_name: Hans full_name: Pabst, Hans last_name: Pabst - first_name: Tiziano full_name: Müller, Tiziano last_name: Müller - first_name: Robert full_name: Schade, Robert id: '75963' last_name: Schade orcid: 0000-0002-6268-539 - first_name: Manuel full_name: Guidon, Manuel last_name: Guidon - first_name: Samuel full_name: Andermatt, Samuel last_name: Andermatt - first_name: Nico full_name: Holmberg, Nico last_name: Holmberg - first_name: Gregory K. full_name: Schenter, Gregory K. last_name: Schenter - first_name: Anna full_name: Hehn, Anna last_name: Hehn - first_name: Augustin full_name: Bussy, Augustin last_name: Bussy - first_name: Fabian full_name: Belleflamme, Fabian last_name: Belleflamme - first_name: Gloria full_name: Tabacchi, Gloria last_name: Tabacchi - first_name: Andreas full_name: Glöß, Andreas last_name: Glöß - first_name: Michael full_name: Lass, Michael id: '24135' last_name: Lass orcid: 0000-0002-5708-7632 - first_name: Iain full_name: Bethune, Iain last_name: Bethune - first_name: Christopher J. full_name: Mundy, Christopher J. last_name: Mundy - first_name: Christian full_name: Plessl, Christian id: '16153' last_name: Plessl orcid: 0000-0001-5728-9982 - first_name: Matt full_name: Watkins, Matt last_name: Watkins - first_name: Joost full_name: VandeVondele, Joost last_name: VandeVondele - first_name: Matthias full_name: Krack, Matthias last_name: Krack - first_name: Jürg full_name: Hutter, Jürg last_name: Hutter citation: ama: 'Kühne T, Iannuzzi M, Ben MD, et al. CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations. The Journal of Chemical Physics. 2020;152(19). doi:10.1063/5.0007045' apa: 'Kühne, T., Iannuzzi, M., Ben, M. D., Rybkin, V. V., Seewald, P., Stein, F., Laino, T., Khaliullin, R. Z., Schütt, O., Schiffmann, F., Golze, D., Wilhelm, J., Chulkov, S., Mohammad Hossein Bani-Hashemian, M. H. B.-H., Weber, V., Borstnik, U., Taillefumier, M., Jakobovits, A. S., Lazzaro, A., … Hutter, J. (2020). CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations. The Journal of Chemical Physics, 152(19), Article 194103. https://doi.org/10.1063/5.0007045' bibtex: '@article{Kühne_Iannuzzi_Ben_Rybkin_Seewald_Stein_Laino_Khaliullin_Schütt_Schiffmann_et al._2020, title={CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations}, volume={152}, DOI={10.1063/5.0007045}, number={19194103}, journal={The Journal of Chemical Physics}, author={Kühne, Thomas and Iannuzzi, Marcella and Ben, Mauro Del and Rybkin, Vladimir V. and Seewald, Patrick and Stein, Frederick and Laino, Teodoro and Khaliullin, Rustam Z. and Schütt, Ole and Schiffmann, Florian and et al.}, year={2020} }' chicago: 'Kühne, Thomas, Marcella Iannuzzi, Mauro Del Ben, Vladimir V. Rybkin, Patrick Seewald, Frederick Stein, Teodoro Laino, et al. “CP2K: An Electronic Structure and Molecular Dynamics Software Package - Quickstep: Efficient and Accurate Electronic Structure Calculations.” The Journal of Chemical Physics 152, no. 19 (2020). https://doi.org/10.1063/5.0007045.' ieee: 'T. Kühne et al., “CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations,” The Journal of Chemical Physics, vol. 152, no. 19, Art. no. 194103, 2020, doi: 10.1063/5.0007045.' mla: 'Kühne, Thomas, et al. “CP2K: An Electronic Structure and Molecular Dynamics Software Package - Quickstep: Efficient and Accurate Electronic Structure Calculations.” The Journal of Chemical Physics, vol. 152, no. 19, 194103, 2020, doi:10.1063/5.0007045.' short: T. Kühne, M. Iannuzzi, M.D. Ben, V.V. Rybkin, P. Seewald, F. Stein, T. Laino, R.Z. Khaliullin, O. Schütt, F. Schiffmann, D. Golze, J. Wilhelm, S. Chulkov, M.H.B.-H. Mohammad Hossein Bani-Hashemian, V. Weber, U. Borstnik, M. Taillefumier, A.S. Jakobovits, A. Lazzaro, H. Pabst, T. Müller, R. Schade, M. Guidon, S. Andermatt, N. Holmberg, G.K. Schenter, A. Hehn, A. Bussy, F. Belleflamme, G. Tabacchi, A. Glöß, M. Lass, I. Bethune, C.J. Mundy, C. Plessl, M. Watkins, J. VandeVondele, M. Krack, J. Hutter, The Journal of Chemical Physics 152 (2020). date_created: 2020-03-10T15:12:31Z date_updated: 2023-08-02T14:56:21Z ddc: - '540' department: - _id: '27' - _id: '518' - _id: '304' doi: 10.1063/5.0007045 external_id: arxiv: - '2003.03868' file: - access_level: closed content_type: application/pdf creator: lass date_created: 2020-05-25T15:21:56Z date_updated: 2020-05-25T15:21:56Z file_id: '17061' file_name: 5.0007045.pdf file_size: 4887650 relation: main_file success: 1 file_date_updated: 2020-05-25T15:21:56Z has_accepted_license: '1' intvolume: ' 152' issue: '19' language: - iso: eng main_file_link: - open_access: '1' url: https://aip.scitation.org/doi/pdf/10.1063/5.0007045?download=true oa: '1' project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing - _id: '32' grant_number: PL 595/2-1 / 320898746 name: Performance and Efficiency in HPC with Custom Computing - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' publication: The Journal of Chemical Physics publication_status: published quality_controlled: '1' status: public title: 'CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations' type: journal_article user_id: '75963' volume: 152 year: '2020' ... --- _id: '16898' abstract: - lang: eng text: "Electronic structure calculations based on density-functional theory (DFT)\r\nrepresent a significant part of today's HPC workloads and pose high demands on\r\nhigh-performance computing resources. To perform these quantum-mechanical DFT\r\ncalculations on complex large-scale systems, so-called linear scaling methods\r\ninstead of conventional cubic scaling methods are required. In this work, we\r\ntake up the idea of the submatrix method and apply it to the DFT computations\r\nin the software package CP2K. For that purpose, we transform the underlying\r\nnumeric operations on distributed, large, sparse matrices into computations on\r\nlocal, much smaller and nearly dense matrices. This allows us to exploit the\r\nfull floating-point performance of modern CPUs and to make use of dedicated\r\naccelerator hardware, where performance has been limited by memory bandwidth\r\nbefore. We demonstrate both functionality and performance of our implementation\r\nand show how it can be accelerated with GPUs and FPGAs." author: - first_name: Michael full_name: Lass, Michael id: '24135' last_name: Lass orcid: 0000-0002-5708-7632 - first_name: Robert full_name: Schade, Robert id: '75963' last_name: Schade orcid: 0000-0002-6268-539 - 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: 'Lass M, Schade R, Kühne T, Plessl C. A Submatrix-Based Method for Approximate Matrix Function Evaluation in the Quantum Chemistry Code CP2K. In: Proc. International Conference for High Performance Computing, Networking, Storage and Analysis (SC). IEEE Computer Society; 2020:1127-1140. doi:10.1109/SC41405.2020.00084' apa: Lass, M., Schade, R., Kühne, T., & Plessl, C. (2020). A Submatrix-Based Method for Approximate Matrix Function Evaluation in the Quantum Chemistry Code CP2K. Proc. International Conference for High Performance Computing, Networking, Storage and Analysis (SC), 1127–1140. https://doi.org/10.1109/SC41405.2020.00084 bibtex: '@inproceedings{Lass_Schade_Kühne_Plessl_2020, place={Los Alamitos, CA, USA}, title={A Submatrix-Based Method for Approximate Matrix Function Evaluation in the Quantum Chemistry Code CP2K}, DOI={10.1109/SC41405.2020.00084}, booktitle={Proc. International Conference for High Performance Computing, Networking, Storage and Analysis (SC)}, publisher={IEEE Computer Society}, author={Lass, Michael and Schade, Robert and Kühne, Thomas and Plessl, Christian}, year={2020}, pages={1127–1140} }' chicago: 'Lass, Michael, Robert Schade, Thomas Kühne, and Christian Plessl. “A Submatrix-Based Method for Approximate Matrix Function Evaluation in the Quantum Chemistry Code CP2K.” In Proc. International Conference for High Performance Computing, Networking, Storage and Analysis (SC), 1127–40. Los Alamitos, CA, USA: IEEE Computer Society, 2020. https://doi.org/10.1109/SC41405.2020.00084.' ieee: 'M. Lass, R. Schade, T. Kühne, and C. Plessl, “A Submatrix-Based Method for Approximate Matrix Function Evaluation in the Quantum Chemistry Code CP2K,” in Proc. International Conference for High Performance Computing, Networking, Storage and Analysis (SC), Atlanta, GA, US, 2020, pp. 1127–1140, doi: 10.1109/SC41405.2020.00084.' mla: Lass, Michael, et al. “A Submatrix-Based Method for Approximate Matrix Function Evaluation in the Quantum Chemistry Code CP2K.” Proc. International Conference for High Performance Computing, Networking, Storage and Analysis (SC), IEEE Computer Society, 2020, pp. 1127–40, doi:10.1109/SC41405.2020.00084. short: 'M. Lass, R. Schade, T. Kühne, C. Plessl, in: Proc. International Conference for High Performance Computing, Networking, Storage and Analysis (SC), IEEE Computer Society, Los Alamitos, CA, USA, 2020, pp. 1127–1140.' conference: location: Atlanta, GA, US name: 'SC20: International Conference for High Performance Computing, Networking, Storage and Analysis (SC)' date_created: 2020-04-28T14:44:21Z date_updated: 2023-08-02T14:55:59Z department: - _id: '27' - _id: '518' - _id: '304' doi: 10.1109/SC41405.2020.00084 external_id: arxiv: - '2004.10811' language: - iso: eng main_file_link: - url: https://ieeexplore.ieee.org/document/9355245 page: 1127-1140 place: Los Alamitos, CA, USA project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing - _id: '32' grant_number: PL 595/2-1 / 320898746 name: Performance and Efficiency in HPC with Custom Computing - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' publication: Proc. International Conference for High Performance Computing, Networking, Storage and Analysis (SC) publisher: IEEE Computer Society quality_controlled: '1' status: public title: A Submatrix-Based Method for Approximate Matrix Function Evaluation in the Quantum Chemistry Code CP2K type: conference user_id: '75963' year: '2020' ... --- _id: '21632' abstract: - lang: eng text: FPGAs have found increasing adoption in data center applications since a new generation of high-level tools have become available which noticeably reduce development time for FPGA accelerators and still provide high-quality results. There is, however, no high-level benchmark suite available, which specifically enables a comparison of FPGA architectures, programming tools, and libraries for HPC applications. To fill this gap, we have developed an OpenCL-based open-source implementation of the HPCC benchmark suite for Xilinx and Intel FPGAs. This benchmark can serve to analyze the current capabilities of FPGA devices, cards, and development tool flows, track progress over time, and point out specific difficulties for FPGA acceleration in the HPC domain. Additionally, the benchmark documents proven performance optimization patterns. We will continue optimizing and porting the benchmark for new generations of FPGAs and design tools and encourage active participation to create a valuable tool for the community. To fill this gap, we have developed an OpenCL-based open-source implementation of the HPCC benchmark suite for Xilinx and Intel FPGAs. This benchmark can serve to analyze the current capabilities of FPGA devices, cards, and development tool flows, track progress over time, and point out specific difficulties for FPGA acceleration in the HPC domain. Additionally, the benchmark documents proven performance optimization patterns. We will continue optimizing and porting the benchmark for new generations of FPGAs and design tools and encourage active participation to create a valuable tool for the community. 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. Evaluating FPGA Accelerator Performance with a Parameterized OpenCL Adaptation of Selected Benchmarks of the HPCChallenge Benchmark Suite. In: 2020 IEEE/ACM International Workshop on Heterogeneous High-Performance Reconfigurable Computing (H2RC). ; 2020. doi:10.1109/h2rc51942.2020.00007' apa: Meyer, M., Kenter, T., & Plessl, C. (2020). Evaluating FPGA Accelerator Performance with a Parameterized OpenCL Adaptation of Selected Benchmarks of the HPCChallenge Benchmark Suite. 2020 IEEE/ACM International Workshop on Heterogeneous High-Performance Reconfigurable Computing (H2RC). https://doi.org/10.1109/h2rc51942.2020.00007 bibtex: '@inproceedings{Meyer_Kenter_Plessl_2020, title={Evaluating FPGA Accelerator Performance with a Parameterized OpenCL Adaptation of Selected Benchmarks of the HPCChallenge Benchmark Suite}, DOI={10.1109/h2rc51942.2020.00007}, booktitle={2020 IEEE/ACM International Workshop on Heterogeneous High-performance Reconfigurable Computing (H2RC)}, author={Meyer, Marius and Kenter, Tobias and Plessl, Christian}, year={2020} }' chicago: Meyer, Marius, Tobias Kenter, and Christian Plessl. “Evaluating FPGA Accelerator Performance with a Parameterized OpenCL Adaptation of Selected Benchmarks of the HPCChallenge Benchmark Suite.” In 2020 IEEE/ACM International Workshop on Heterogeneous High-Performance Reconfigurable Computing (H2RC), 2020. https://doi.org/10.1109/h2rc51942.2020.00007. ieee: 'M. Meyer, T. Kenter, and C. Plessl, “Evaluating FPGA Accelerator Performance with a Parameterized OpenCL Adaptation of Selected Benchmarks of the HPCChallenge Benchmark Suite,” 2020, doi: 10.1109/h2rc51942.2020.00007.' mla: Meyer, Marius, et al. “Evaluating FPGA Accelerator Performance with a Parameterized OpenCL Adaptation of Selected Benchmarks of the HPCChallenge Benchmark Suite.” 2020 IEEE/ACM International Workshop on Heterogeneous High-Performance Reconfigurable Computing (H2RC), 2020, doi:10.1109/h2rc51942.2020.00007. short: 'M. Meyer, T. Kenter, C. Plessl, in: 2020 IEEE/ACM International Workshop on Heterogeneous High-Performance Reconfigurable Computing (H2RC), 2020.' date_created: 2021-04-16T10:17:22Z date_updated: 2023-09-26T11:42:53Z department: - _id: '27' - _id: '518' doi: 10.1109/h2rc51942.2020.00007 keyword: - FPGA - OpenCL - High Level Synthesis - HPC benchmarking language: - iso: eng main_file_link: - url: https://ieeexplore.ieee.org/document/9306963 project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: 2020 IEEE/ACM International Workshop on Heterogeneous High-performance Reconfigurable Computing (H2RC) publication_identifier: isbn: - '9781665415927' publication_status: published quality_controlled: '1' related_material: link: - description: Official repository of the benchmark suite on GitHub relation: supplementary_material url: https://github.com/pc2/HPCC_FPGA status: public title: Evaluating FPGA Accelerator Performance with a Parameterized OpenCL Adaptation of Selected Benchmarks of the HPCChallenge Benchmark Suite type: conference user_id: '15278' year: '2020' ... --- _id: '12878' abstract: - lang: eng text: In scientific computing, the acceleration of atomistic computer simulations by means of custom hardware is finding ever-growing application. A major limitation, however, is that the high efficiency in terms of performance and low power consumption entails the massive usage of low precision computing units. Here, based on the approximate computing paradigm, we present an algorithmic method to compensate for numerical inaccuracies due to low accuracy arithmetic operations rigorously, yet still obtaining exact expectation values using a properly modified Langevin-type equation. article_number: '39' author: - first_name: Varadarajan full_name: Rengaraj, Varadarajan last_name: Rengaraj - first_name: Michael full_name: Lass, Michael id: '24135' last_name: Lass orcid: 0000-0002-5708-7632 - 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: Rengaraj V, Lass M, Plessl C, Kühne T. Accurate Sampling with Noisy Forces from Approximate Computing. Computation. 2020;8(2). doi:10.3390/computation8020039 apa: Rengaraj, V., Lass, M., Plessl, C., & Kühne, T. (2020). Accurate Sampling with Noisy Forces from Approximate Computing. Computation, 8(2), Article 39. https://doi.org/10.3390/computation8020039 bibtex: '@article{Rengaraj_Lass_Plessl_Kühne_2020, title={Accurate Sampling with Noisy Forces from Approximate Computing}, volume={8}, DOI={10.3390/computation8020039}, number={239}, journal={Computation}, publisher={MDPI}, author={Rengaraj, Varadarajan and Lass, Michael and Plessl, Christian and Kühne, Thomas}, year={2020} }' chicago: Rengaraj, Varadarajan, Michael Lass, Christian Plessl, and Thomas Kühne. “Accurate Sampling with Noisy Forces from Approximate Computing.” Computation 8, no. 2 (2020). https://doi.org/10.3390/computation8020039. ieee: 'V. Rengaraj, M. Lass, C. Plessl, and T. Kühne, “Accurate Sampling with Noisy Forces from Approximate Computing,” Computation, vol. 8, no. 2, Art. no. 39, 2020, doi: 10.3390/computation8020039.' mla: Rengaraj, Varadarajan, et al. “Accurate Sampling with Noisy Forces from Approximate Computing.” Computation, vol. 8, no. 2, 39, MDPI, 2020, doi:10.3390/computation8020039. short: V. Rengaraj, M. Lass, C. Plessl, T. Kühne, Computation 8 (2020). date_created: 2019-07-23T12:03:07Z date_updated: 2023-09-26T11:43:52Z department: - _id: '27' - _id: '518' - _id: '304' doi: 10.3390/computation8020039 external_id: arxiv: - '1907.08497' intvolume: ' 8' issue: '2' language: - iso: eng main_file_link: - open_access: '1' url: https://www.mdpi.com/2079-3197/8/2/39/pdf oa: '1' project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing - _id: '32' grant_number: PL 595/2-1 / 320898746 name: Performance and Efficiency in HPC with Custom Computing publication: Computation publisher: MDPI quality_controlled: '1' status: public title: Accurate Sampling with Noisy Forces from Approximate Computing type: journal_article user_id: '15278' volume: 8 year: '2020' ... --- _id: '29744' abstract: - lang: eng text:

A hole transfer from an excited Ru unit towards graphene oxide significantly improved the photocatalytic activity of the complexes.

author: - first_name: Marta full_name: Rosenthal, Marta last_name: Rosenthal - first_name: Jörg full_name: Lindner, Jörg id: '20797' last_name: Lindner - first_name: Uwe full_name: Gerstmann, Uwe id: '171' last_name: Gerstmann orcid: 0000-0002-4476-223X - first_name: Armin full_name: Meier, Armin last_name: Meier - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: René full_name: Wilhelm, René last_name: Wilhelm citation: ama: Rosenthal M, Lindner J, Gerstmann U, Meier A, Schmidt WG, Wilhelm R. A photoredox catalysed Heck reaction via hole transfer from a Ru(ii)-bis(terpyridine) complex to graphene oxide. RSC Advances. 2020;10(70):42930-42937. doi:10.1039/d0ra08749a apa: Rosenthal, M., Lindner, J., Gerstmann, U., Meier, A., Schmidt, W. G., & Wilhelm, R. (2020). A photoredox catalysed Heck reaction via hole transfer from a Ru(ii)-bis(terpyridine) complex to graphene oxide. RSC Advances, 10(70), 42930–42937. https://doi.org/10.1039/d0ra08749a bibtex: '@article{Rosenthal_Lindner_Gerstmann_Meier_Schmidt_Wilhelm_2020, title={A photoredox catalysed Heck reaction via hole transfer from a Ru(ii)-bis(terpyridine) complex to graphene oxide}, volume={10}, DOI={10.1039/d0ra08749a}, number={70}, journal={RSC Advances}, publisher={Royal Society of Chemistry (RSC)}, author={Rosenthal, Marta and Lindner, Jörg and Gerstmann, Uwe and Meier, Armin and Schmidt, Wolf Gero and Wilhelm, René}, year={2020}, pages={42930–42937} }' chicago: 'Rosenthal, Marta, Jörg Lindner, Uwe Gerstmann, Armin Meier, Wolf Gero Schmidt, and René Wilhelm. “A Photoredox Catalysed Heck Reaction via Hole Transfer from a Ru(Ii)-Bis(Terpyridine) Complex to Graphene Oxide.” RSC Advances 10, no. 70 (2020): 42930–37. https://doi.org/10.1039/d0ra08749a.' ieee: 'M. Rosenthal, J. Lindner, U. Gerstmann, A. Meier, W. G. Schmidt, and R. Wilhelm, “A photoredox catalysed Heck reaction via hole transfer from a Ru(ii)-bis(terpyridine) complex to graphene oxide,” RSC Advances, vol. 10, no. 70, pp. 42930–42937, 2020, doi: 10.1039/d0ra08749a.' mla: Rosenthal, Marta, et al. “A Photoredox Catalysed Heck Reaction via Hole Transfer from a Ru(Ii)-Bis(Terpyridine) Complex to Graphene Oxide.” RSC Advances, vol. 10, no. 70, Royal Society of Chemistry (RSC), 2020, pp. 42930–37, doi:10.1039/d0ra08749a. short: M. Rosenthal, J. Lindner, U. Gerstmann, A. Meier, W.G. Schmidt, R. Wilhelm, RSC Advances 10 (2020) 42930–42937. date_created: 2022-02-03T15:10:50Z date_updated: 2025-12-05T14:01:30Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '286' - _id: '230' - _id: '35' - _id: '790' - _id: '27' doi: 10.1039/d0ra08749a intvolume: ' 10' issue: '70' keyword: - General Chemical Engineering - General Chemistry language: - iso: eng page: 42930-42937 project: - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' publication: RSC Advances publication_identifier: issn: - 2046-2069 publication_status: published publisher: Royal Society of Chemistry (RSC) status: public title: A photoredox catalysed Heck reaction via hole transfer from a Ru(ii)-bis(terpyridine) complex to graphene oxide type: journal_article user_id: '16199' volume: 10 year: '2020' ... --- _id: '7689' article_type: original author: - first_name: Heinrich full_name: Riebler, Heinrich id: '8961' last_name: Riebler - first_name: Gavin Francis full_name: Vaz, Gavin Francis id: '30332' last_name: Vaz - 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: Riebler H, Vaz GF, Kenter T, Plessl C. Transparent Acceleration for Heterogeneous Platforms with Compilation to OpenCL. ACM Trans Archit Code Optim (TACO). 2019;16(2):14:1–14:26. doi:10.1145/3319423 apa: Riebler, H., Vaz, G. F., Kenter, T., & Plessl, C. (2019). Transparent Acceleration for Heterogeneous Platforms with Compilation to OpenCL. ACM Trans. Archit. Code Optim. (TACO), 16(2), 14:1–14:26. https://doi.org/10.1145/3319423 bibtex: '@article{Riebler_Vaz_Kenter_Plessl_2019, title={Transparent Acceleration for Heterogeneous Platforms with Compilation to OpenCL}, volume={16}, DOI={10.1145/3319423}, number={2}, journal={ACM Trans. Archit. Code Optim. (TACO)}, publisher={ACM}, author={Riebler, Heinrich and Vaz, Gavin Francis and Kenter, Tobias and Plessl, Christian}, year={2019}, pages={14:1–14:26} }' chicago: 'Riebler, Heinrich, Gavin Francis Vaz, Tobias Kenter, and Christian Plessl. “Transparent Acceleration for Heterogeneous Platforms with Compilation to OpenCL.” ACM Trans. Archit. Code Optim. (TACO) 16, no. 2 (2019): 14:1–14:26. https://doi.org/10.1145/3319423.' ieee: H. Riebler, G. F. Vaz, T. Kenter, and C. Plessl, “Transparent Acceleration for Heterogeneous Platforms with Compilation to OpenCL,” ACM Trans. Archit. Code Optim. (TACO), vol. 16, no. 2, pp. 14:1–14:26, 2019. mla: Riebler, Heinrich, et al. “Transparent Acceleration for Heterogeneous Platforms with Compilation to OpenCL.” ACM Trans. Archit. Code Optim. (TACO), vol. 16, no. 2, ACM, 2019, pp. 14:1–14:26, doi:10.1145/3319423. short: H. Riebler, G.F. Vaz, T. Kenter, C. Plessl, ACM Trans. Archit. Code Optim. (TACO) 16 (2019) 14:1–14:26. date_created: 2019-02-13T15:01:43Z date_updated: 2022-01-06T07:03:44Z ddc: - '000' department: - _id: '27' - _id: '518' doi: 10.1145/3319423 file: - access_level: closed content_type: application/pdf creator: deffel date_created: 2019-02-13T14:59:07Z date_updated: 2019-02-13T14:59:07Z file_id: '7695' file_name: htrop19_taco.pdf file_size: 872822 relation: main_file file_date_updated: 2019-02-13T14:59:07Z has_accepted_license: '1' intvolume: ' 16' issue: '2' keyword: - htrop language: - iso: eng page: 14:1–14:26 project: - _id: '1' name: SFB 901 - _id: '4' name: SFB 901 - Project Area C - _id: '14' name: SFB 901 - Subproject C2 publication: ACM Trans. Archit. Code Optim. (TACO) publication_status: published publisher: ACM quality_controlled: '1' status: public title: Transparent Acceleration for Heterogeneous Platforms with Compilation to OpenCL type: journal_article user_id: '16153' volume: 16 year: '2019' ... --- _id: '15478' abstract: - lang: eng text: Stratix 10 FPGA cards have a good potential for the acceleration of HPC workloads since the Stratix 10 product line introduces devices with a large number of DSP and memory blocks. The high level synthesis of OpenCL codes can play a fundamental role for FPGAs in HPC, because it allows to implement different designs with lower development effort compared to hand optimized HDL. However, Stratix 10 cards are still hard to fully exploit using the Intel FPGA SDK for OpenCL. The implementation of designs with thousands of concurrent arithmetic operations often suffers from place and route problems that limit the maximum frequency or entirely prevent a successful synthesis. In order to overcome these issues for the implementation of the matrix multiplication, we formulate Cannon's matrix multiplication algorithm with regard to its efficient synthesis within the FPGA logic. We obtain a two-level block algorithm, where the lower level sub-matrices are multiplied using our Cannon's algorithm implementation. Following this design approach with multiple compute units, we are able to get maximum frequencies close to and above 300 MHz with high utilization of DSP and memory blocks. This allows for performance results above 1 TeraFLOPS. author: - first_name: Paolo full_name: Gorlani, Paolo id: '72045' last_name: Gorlani - 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: 'Gorlani P, Kenter T, Plessl C. OpenCL Implementation of Cannon’s Matrix Multiplication Algorithm on Intel Stratix 10 FPGAs. In: Proceedings of the International Conference on Field-Programmable Technology (FPT). IEEE; 2019. doi:10.1109/ICFPT47387.2019.00020' apa: Gorlani, P., Kenter, T., & Plessl, C. (2019). OpenCL Implementation of Cannon’s Matrix Multiplication Algorithm on Intel Stratix 10 FPGAs. In Proceedings of the International Conference on Field-Programmable Technology (FPT). IEEE. https://doi.org/10.1109/ICFPT47387.2019.00020 bibtex: '@inproceedings{Gorlani_Kenter_Plessl_2019, title={OpenCL Implementation of Cannon’s Matrix Multiplication Algorithm on Intel Stratix 10 FPGAs}, DOI={10.1109/ICFPT47387.2019.00020}, booktitle={Proceedings of the International Conference on Field-Programmable Technology (FPT)}, publisher={IEEE}, author={Gorlani, Paolo and Kenter, Tobias and Plessl, Christian}, year={2019} }' chicago: Gorlani, Paolo, Tobias Kenter, and Christian Plessl. “OpenCL Implementation of Cannon’s Matrix Multiplication Algorithm on Intel Stratix 10 FPGAs.” In Proceedings of the International Conference on Field-Programmable Technology (FPT). IEEE, 2019. https://doi.org/10.1109/ICFPT47387.2019.00020. ieee: P. Gorlani, T. Kenter, and C. Plessl, “OpenCL Implementation of Cannon’s Matrix Multiplication Algorithm on Intel Stratix 10 FPGAs,” in Proceedings of the International Conference on Field-Programmable Technology (FPT), 2019. mla: Gorlani, Paolo, et al. “OpenCL Implementation of Cannon’s Matrix Multiplication Algorithm on Intel Stratix 10 FPGAs.” Proceedings of the International Conference on Field-Programmable Technology (FPT), IEEE, 2019, doi:10.1109/ICFPT47387.2019.00020. short: 'P. Gorlani, T. Kenter, C. Plessl, in: Proceedings of the International Conference on Field-Programmable Technology (FPT), IEEE, 2019.' conference: name: International Conference on Field-Programmable Technology (FPT) date_created: 2020-01-09T12:54:48Z date_updated: 2022-01-06T06:52:26Z ddc: - '004' department: - _id: '27' - _id: '518' doi: 10.1109/ICFPT47387.2019.00020 file: - access_level: closed content_type: application/pdf creator: plessl date_created: 2020-01-09T12:53:57Z date_updated: 2020-01-09T12:53:57Z file_id: '15479' file_name: gorlani19_fpt.pdf file_size: 250559 relation: main_file success: 1 file_date_updated: 2020-01-09T12:53:57Z has_accepted_license: '1' language: - iso: eng project: - _id: '33' grant_number: 01|H16005 name: HighPerMeshes - _id: '32' grant_number: PL 595/2-1 name: Performance and Efficiency in HPC with Custom Computing publication: Proceedings of the International Conference on Field-Programmable Technology (FPT) publisher: IEEE quality_controlled: '1' status: public title: OpenCL Implementation of Cannon's Matrix Multiplication Algorithm on Intel Stratix 10 FPGAs type: conference user_id: '3145' year: '2019' ... --- _id: '34167' author: - first_name: Heinrich full_name: Riebler, Heinrich id: '8961' last_name: Riebler citation: ama: Riebler H. Efficient Parallel Branch-and-Bound Search on FPGAs Using Work Stealing and Instance-Specific Designs.; 2019. doi:10.17619/UNIPB/1-830 apa: Riebler, H. (2019). Efficient parallel branch-and-bound search on FPGAs using work stealing and instance-specific designs. https://doi.org/10.17619/UNIPB/1-830 bibtex: '@book{Riebler_2019, title={Efficient parallel branch-and-bound search on FPGAs using work stealing and instance-specific designs}, DOI={10.17619/UNIPB/1-830}, author={Riebler, Heinrich}, year={2019} }' chicago: Riebler, Heinrich. Efficient Parallel Branch-and-Bound Search on FPGAs Using Work Stealing and Instance-Specific Designs, 2019. https://doi.org/10.17619/UNIPB/1-830. ieee: H. Riebler, Efficient parallel branch-and-bound search on FPGAs using work stealing and instance-specific designs. 2019. mla: Riebler, Heinrich. Efficient Parallel Branch-and-Bound Search on FPGAs Using Work Stealing and Instance-Specific Designs. 2019, doi:10.17619/UNIPB/1-830. short: H. Riebler, Efficient Parallel Branch-and-Bound Search on FPGAs Using Work Stealing and Instance-Specific Designs, 2019. date_created: 2022-11-30T14:36:04Z date_updated: 2022-11-30T14:44:15Z department: - _id: '27' doi: 10.17619/UNIPB/1-830 language: - iso: eng project: - _id: '1' name: 'SFB 901: SFB 901' - _id: '4' name: 'SFB 901 - C: SFB 901 - Project Area C' - _id: '14' name: 'SFB 901 - C2: SFB 901 - Subproject C2' status: public supervisor: - first_name: Christian full_name: Plessl, Christian id: '16153' last_name: Plessl orcid: 0000-0001-5728-9982 title: Efficient parallel branch-and-bound search on FPGAs using work stealing and instance-specific designs type: dissertation user_id: '15504' year: '2019' ... --- _id: '21' abstract: - lang: eng text: "We address the general mathematical problem of computing the inverse p-th\r\nroot of a given matrix in an efficient way. A new method to construct iteration\r\nfunctions that allow calculating arbitrary p-th roots and their inverses of\r\nsymmetric positive definite matrices is presented. We show that the order of\r\nconvergence is at least quadratic and that adaptively adjusting a parameter q\r\nalways leads to an even faster convergence. In this way, a better performance\r\nthan with previously known iteration schemes is achieved. The efficiency of the\r\niterative functions is demonstrated for various matrices with different\r\ndensities, condition numbers and spectral radii." author: - first_name: Dorothee full_name: Richters, Dorothee last_name: Richters - first_name: Michael full_name: Lass, Michael id: '24135' last_name: Lass orcid: 0000-0002-5708-7632 - first_name: Andrea full_name: Walther, Andrea last_name: Walther - 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: Richters D, Lass M, Walther A, Plessl C, Kühne T. A General Algorithm to Calculate the Inverse Principal p-th Root of Symmetric Positive Definite Matrices. Communications in Computational Physics. 2019;25(2):564-585. doi:10.4208/cicp.OA-2018-0053 apa: Richters, D., Lass, M., Walther, A., Plessl, C., & Kühne, T. (2019). A General Algorithm to Calculate the Inverse Principal p-th Root of Symmetric Positive Definite Matrices. Communications in Computational Physics, 25(2), 564–585. https://doi.org/10.4208/cicp.OA-2018-0053 bibtex: '@article{Richters_Lass_Walther_Plessl_Kühne_2019, title={A General Algorithm to Calculate the Inverse Principal p-th Root of Symmetric Positive Definite Matrices}, volume={25}, DOI={10.4208/cicp.OA-2018-0053}, number={2}, journal={Communications in Computational Physics}, publisher={Global Science Press}, author={Richters, Dorothee and Lass, Michael and Walther, Andrea and Plessl, Christian and Kühne, Thomas}, year={2019}, pages={564–585} }' chicago: 'Richters, Dorothee, Michael Lass, Andrea Walther, Christian Plessl, and Thomas Kühne. “A General Algorithm to Calculate the Inverse Principal P-Th Root of Symmetric Positive Definite Matrices.” Communications in Computational Physics 25, no. 2 (2019): 564–85. https://doi.org/10.4208/cicp.OA-2018-0053.' ieee: 'D. Richters, M. Lass, A. Walther, C. Plessl, and T. Kühne, “A General Algorithm to Calculate the Inverse Principal p-th Root of Symmetric Positive Definite Matrices,” Communications in Computational Physics, vol. 25, no. 2, pp. 564–585, 2019, doi: 10.4208/cicp.OA-2018-0053.' mla: Richters, Dorothee, et al. “A General Algorithm to Calculate the Inverse Principal P-Th Root of Symmetric Positive Definite Matrices.” Communications in Computational Physics, vol. 25, no. 2, Global Science Press, 2019, pp. 564–85, doi:10.4208/cicp.OA-2018-0053. short: D. Richters, M. Lass, A. Walther, C. Plessl, T. Kühne, Communications in Computational Physics 25 (2019) 564–585. date_created: 2017-07-25T14:48:26Z date_updated: 2023-09-26T11:45:02Z department: - _id: '27' - _id: '518' - _id: '304' - _id: '104' doi: 10.4208/cicp.OA-2018-0053 external_id: arxiv: - '1703.02456' intvolume: ' 25' issue: '2' language: - iso: eng page: 564-585 project: - _id: '32' grant_number: PL 595/2-1 / 320898746 name: Performance and Efficiency in HPC with Custom Computing - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: Communications in Computational Physics publisher: Global Science Press quality_controlled: '1' status: public title: A General Algorithm to Calculate the Inverse Principal p-th Root of Symmetric Positive Definite Matrices type: journal_article user_id: '15278' volume: 25 year: '2019' ... --- _id: '12871' author: - first_name: Marco full_name: Platzner, Marco id: '398' last_name: Platzner - first_name: Christian full_name: Plessl, Christian id: '16153' last_name: Plessl orcid: 0000-0001-5728-9982 citation: ama: Platzner M, Plessl C. FPGAs im Rechenzentrum. Informatik Spektrum. Published online 2019. doi:10.1007/s00287-019-01187-w apa: Platzner, M., & Plessl, C. (2019). FPGAs im Rechenzentrum. Informatik Spektrum. https://doi.org/10.1007/s00287-019-01187-w bibtex: '@article{Platzner_Plessl_2019, title={FPGAs im Rechenzentrum}, DOI={10.1007/s00287-019-01187-w}, journal={Informatik Spektrum}, author={Platzner, Marco and Plessl, Christian}, year={2019} }' chicago: Platzner, Marco, and Christian Plessl. “FPGAs im Rechenzentrum.” Informatik Spektrum, 2019. https://doi.org/10.1007/s00287-019-01187-w. ieee: 'M. Platzner and C. Plessl, “FPGAs im Rechenzentrum,” Informatik Spektrum, 2019, doi: 10.1007/s00287-019-01187-w.' mla: Platzner, Marco, and Christian Plessl. “FPGAs im Rechenzentrum.” Informatik Spektrum, 2019, doi:10.1007/s00287-019-01187-w. short: M. Platzner, C. Plessl, Informatik Spektrum (2019). date_created: 2019-07-22T12:42:44Z date_updated: 2023-09-26T11:45:57Z ddc: - '004' department: - _id: '27' - _id: '518' - _id: '78' doi: 10.1007/s00287-019-01187-w file: - access_level: open_access content_type: application/pdf creator: plessl date_created: 2019-07-22T12:45:02Z date_updated: 2019-07-22T12:45:02Z file_id: '12872' file_name: plessl19_informatik_spektrum.pdf file_size: 248360 relation: main_file file_date_updated: 2019-07-22T12:45:02Z has_accepted_license: '1' language: - iso: ger oa: '1' publication: Informatik Spektrum publication_identifier: issn: - 0170-6012 - 1432-122X publication_status: published quality_controlled: '1' status: public title: FPGAs im Rechenzentrum type: journal_article user_id: '15278' year: '2019' ...