المؤلفون: Cheng, Lixue, Szabó, P. Bernát, Schätzle, Zeno, Kooi, Derk P., Köhler, Jonas, Giesbertz, Klaas J. H., Noé, Frank, Hermann, Jan, Gori-Giorgi, Paola, Foster, Adam

مصطلحات موضوعية: Physics - Chemical Physics, Computer Science - Machine Learning

URL الوصول: http://arxiv.org/abs/2409.01306

المؤلفون: Hermann, Jan, Stöhr, Martin, Góger, Szabolcs, Chaudhuri, Shayantan, Aradi, Bálint, Maurer, Reinhard J., Tkatchenko, Alexandre

مصطلحات موضوعية: Physics - Chemical Physics, Condensed Matter - Materials Science, Physics - Computational Physics

URL الوصول: http://arxiv.org/abs/2308.03140

المؤلفون: Schätzle, Zeno, Szabó, Bernát, Mezera, Matĕj, Hermann, Jan, Noé, Frank

مصطلحات موضوعية: Physics - Chemical Physics

URL الوصول: http://arxiv.org/abs/2307.14123

المؤلفون: Cheng, Lixue, Szabó, P. Bernát, Schätzle, Zeno, Kooi, Derk P., Köhler, Jonas, Giesbertz, Klaas J. H., Noé, Frank, Hermann, Jan, Gori-Giorgi, Paola, Foster, Adam

المصدر: Journal of Chemical Physics; 1/21/2025, Vol. 162 Issue 3, p1-12, 12p

مصطلحات موضوعية: AB initio quantum chemistry methods, ELECTRON density, DIPOLE moments, QUANTUM chemistry, DEEP learning

المؤلفون: Hermann, Jan, Spencer, James, Choo, Kenny, Mezzacapo, Antonio, Foulkes, W. M. C., Pfau, David, Carleo, Giuseppe, Noé, Frank

مصطلحات موضوعية: Physics - Chemical Physics, Computer Science - Machine Learning, Physics - Computational Physics, Statistics - Machine Learning

URL الوصول: http://arxiv.org/abs/2208.12590

المؤلفون: Entwistle, Mike, Schätzle, Zeno, Erdman, Paolo A., Hermann, Jan, Noé, Frank

مصطلحات موضوعية: Physics - Chemical Physics, Physics - Computational Physics, Statistics - Machine Learning

URL الوصول: http://arxiv.org/abs/2203.09472

المؤلفون: Schätzle, Zeno, Hermann, Jan, Noé, Frank

مصطلحات موضوعية: Physics - Computational Physics, Computer Science - Machine Learning, Physics - Chemical Physics, Statistics - Machine Learning

URL الوصول: http://arxiv.org/abs/2010.05316

المؤلفون: Stöhr, Martin, Sadhukhan, Mainak, Al-Hamdani, Yasmine S., Hermann, Jan, Tkatchenko, Alexandre

مصطلحات موضوعية: Physics - Chemical Physics, Condensed Matter - Materials Science

URL الوصول: http://arxiv.org/abs/2007.12505

المؤلفون: Venkataram, Prashanth S., Hermann, Jan, Tkatchenko, Alexandre, Rodriguez, Alejandro W.

المصدر: Phys. Rev. B 102, 085403 (2020)

مصطلحات موضوعية: Condensed Matter - Mesoscale and Nanoscale Physics, Physics - Optics, 78A99

URL الوصول: http://arxiv.org/abs/2005.04083

المؤلفون: Smith, Daniel GA, Lolinco, Annabelle T, Glick, Zachary L, Lee, Jiyoung, Alenaizan, Asem, Barnes, Taylor A, Borca, Carlos H, Di Remigio, Roberto, Dotson, David L, Ehlert, Sebastian, Heide, Alexander G, Herbst, Michael F, Hermann, Jan, Hicks, Colton B, Horton, Joshua T, Hurtado, Adrian G, Kraus, Peter, Kruse, Holger, Lee, Sebastian JR, Misiewicz, Jonathon P, Naden, Levi N, Ramezanghorbani, Farhad, Scheurer, Maximilian, Schriber, Jeffrey B, Simmonett, Andrew C, Steinmetzer, Johannes, Wagner, Jeffrey R, Ward, Logan, Welborn, Matthew, Altarawy, Doaa, Anwar, Jamshed, Chodera, John D, Dreuw, Andreas, Kulik, Heather J, Liu, Fang, Martínez, Todd J, Matthews, Devin A, Schaefer, Henry F, Šponer, Jiří, Turney, Justin M, Wang, Lee-Ping, De Silva, Nuwan, King, Rollin A, Stanton, John F, Gordon, Mark S, Windus, Theresa L, Sherrill, C David, Burns, Lori A

المصدر: The Journal of Chemical Physics. 155(20)

مصطلحات موضوعية: Networking and Information Technology R&D (NITRD), Physical Sciences, Chemical Sciences, Engineering, Chemical Physics

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/4h8041v9

المؤلفون: Bulatović, Milica, Hermann, Jan, Tinguely, Pascale, Paolucci, Iwan, Weber, Stefan

المساهمون: Innosuisse - Schweizerische Agentur für Innovationsförderung

المصدر: Frontiers in Oncology ; volume 14 ; ISSN 2234-943X

الاتاحة: https://doi.org/10.3389/fonc.2024.1463686
https://www.frontiersin.org/articles/10.3389/fonc.2024.1463686/full

المؤلفون: Mazo Sevillano, Pablo del, Hermann, Jan

المساهمون: UAM. Departamento de Química Física Aplicada

مصطلحات موضوعية: Deep neural networks, density functional theory, electrons, kinetics, Física, Química

وصف الملف: application/pdf

Relation: Journal of Chemical Physics; https://doi.org/10.1063/5.0166432; Gobierno de España. PID2021-122549NB-C21; Gobierno de España. PID2021-122549NB-C22; Journal of Chemical Physics 159.19 (2023): 194107; http://hdl.handle.net/10486/712336; 194107-1; 19; 194107-11; 159

الاتاحة: http://hdl.handle.net/10486/712336
https://doi.org/10.1063/5.0166432

المؤلفون: Sun, Qiming, Zhang, Xing, Banerjee, Samragni, Bao, Peng, Barbry, Marc, Blunt, Nick S., Bogdanov, Nikolay A., Booth, George H., Chen, Jia, Cui, Zhi-Hao, Eriksen, Janus Juul, Gao, Yang, Guo, Sheng, Hermann, Jan, Hermes, Matthew R., Koh, Kevin, Koval, Peter, Lehtola, Susi, Li, Zhendong, Liu, Junzi, Mardirossian, Narbe, McClain, James D., Motta, Mario, Mussard, Bastien, Pham, Hung Q., Pulkin, Artem, Purwanto, Wirawan, Robinson, Paul J., Ronca, Enrico, Sayfutyarova, Elvira, Scheurer, Maximilian, Schurkus, Henry F., Smith, James E. T., Sun, Chong, Sun, Shi-Ning, Upadhyay, Shiv, Wagner, Lucas K., Wang, Xiao, White, Alec, Whitfield, James Daniel, Williamson, Mark J., Wouters, Sebastian, Yang, Jun, Yu, Jason M., Zhu, Tianyu, Berkelbach, Timothy C., Sharma, Sandeep, Sokolov, Alexander, Chan, Garnet Kin-Lic

المصدر: J. Chem. Phys. 153, 024109 (2020)

مصطلحات موضوعية: Physics - Chemical Physics, Physics - Computational Physics

URL الوصول: http://arxiv.org/abs/2002.12531

المؤلفون: Hermann, Jan

Thesis Advisors: Draxl, Claudia, Usvyat, Denis, Verstraelen, Toon

مصطلحات موضوعية: Van der Waals-Wechselwirkungen, Dispersion, DFT, Polarisierbarkeit, van der Waals interactions, dispersion, polarizability, 530 Physik, UN 1555, ddc:530

وصف الملف: application/pdf

الاتاحة: http://edoc.hu-berlin.de/18452/19417

المؤلفون: Hermann, Jan, Tkatchenko, Alexandre

المصدر: Phys. Rev. Lett. 124, 146401 (2020)

مصطلحات موضوعية: Condensed Matter - Materials Science, Physics - Chemical Physics

URL الوصول: http://arxiv.org/abs/1910.03073

المؤلفون: Hermann, Jan, Schätzle, Zeno, Noé, Frank

مصطلحات موضوعية: Physics - Computational Physics, Computer Science - Machine Learning, Physics - Chemical Physics, Statistics - Machine Learning

URL الوصول: http://arxiv.org/abs/1909.08423

المؤلفون: Venkataram, Prashanth S., Hermann, Jan, Vongkovit, Teerit J., Tkatchenko, Alexandre, Rodriguez, Alejandro W.

مصطلحات موضوعية: Condensed Matter - Mesoscale and Nanoscale Physics, 81T55

URL الوصول: http://arxiv.org/abs/1810.03415

المؤلفون: Venkataram, Prashanth S., Hermann, Jan, Tkatchenko, Alexandre, Rodriguez, Alejandro W.

المصدر: Phys. Rev. Lett. 121, 045901 (2018)

مصطلحات موضوعية: Condensed Matter - Mesoscale and Nanoscale Physics, 80A20

URL الوصول: http://arxiv.org/abs/1803.07080

المؤلفون: Bulatović, Milica, Hermann, Jan, Tinguely, Pascale, Paolucci, Iwan, Weber, Stefan

المصدر: Frontiers in Oncology; 2025, p1-11, 11p

مصطلحات موضوعية: ABLATION techniques, LIVER tumors, LIVER cancer, WIDTH measurement, TUMOR treatment

المؤلفون: Mazo-Sevillano, Pablo del, Hermann, Jan

المصدر: Journal of Chemical Physics; 11/21/2023, Vol. 159 Issue 19, p1-11, 11p

مصطلحات موضوعية: DENSITY functionals, VARIATIONAL principles, ARTIFICIAL neural networks, ELECTRON kinetic energy, ELECTRON density, FUNCTIONALS