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J

Jan Hermann

microsoft research

18H-index
114Paper Count
4.0KCitation Count
Published Papers 27
Publication Date
An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking
err2026-08-21
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errOAAI
errAdam Foster; Zeno Schätzle; P. Bernát Szabó; Lixue Cheng; Jonas Köhler; Gino Cassella; Nicholas Gao; Jiawei Li; Frank Noé; Jan Hermann
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Accurate Chemistry Collection: Coupled cluster atomization energies for broad chemical space
err2026-04-25
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errOAAI
errSebastian Ehlert; Jan Hermann; Thijs Vogels; Victor Garcia Satorras; Stephanie Lanius; Marwin Segler; Klaas J. H. Giesbertz; Derk P. Kooi; Kenji Takeda; Chin-Wei Huang; Giulia Luise; Rianne van den Berg; Paola Gori-Giorgi; Amir Karton
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Chemical Space Exploration with Artificial Mindless Molecules
err2025-09-01
err2
PREAI
errGasevic, Thomas; Mueller, Marcel; Schoeps, Jonathan; Lanius, Stephanie; Hermann, Jan; Grimme, Stefan; Hansen, Andreas
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Highly accurate real-space electron densities with neural networks
err2025-01-21
err0
PREAI
errCheng, Lixue; Szabo, P. Bernat; Schaetzle, Zeno; Kooi, Derk P.; Koehler, Jonas; Giesbertz, Klaas J. H.; Noe, Frank; Hermann, Jan; Gori-Giorgi, Paola; Foster, Adam
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Configuring thermal ablation volumes for treatment of distinct tumor shapes: a repeatability study using a robotic approach
err2024-12-20
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errOAAI
errBulatovic, Milica; Hermann, Jan; Tinguely, Pascale; Paolucci, Iwan; Weber, Stefan
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libMBD: A general-purpose package for scalable quantum many-body dispersion calculations
err2023-11-07
err5
errOAAI
errHermann, Jan; Stohr, Martin; Goger, Szabolcs; Chaudhuri, Shayantan; Aradi, Balint; Maurer, Reinhard J.; Tkatchenko, Alexandre
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Ab initio quantum chemistry with neural-network wavefunctions
err2023-08-09
err33
errOAAI
errHermann, Jan; Spencer, James; Choo, Kenny; Mezzacapo, Antonio; Foulkes, W. M. C.; Pfau, David; Carleo, Giuseppe; Noe, Frank
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DFTB+, a software package for efficient approximate density functional theory based atomistic simulations (vol 152, 124101, 2020)
err2022-07-18
err5
errOAAI
errHourahine, B.; Aradi, B.; Blum, V.; Bonafe, F.; Buccheri, A.; Camacho, C.; Cevallos, C.; Deshaye, M. Y.; Dumitrica, T.; Dominguez, A.; Ehlert, S.; Elstner, M.; van der Heide, T.; Hermann, J.; Irle, S.; Jakowski, J.; Kranz, J. J.; Koehler, C.; Kowalczyk, T.; Kubar, T.; Lee, I. S.; Lutsker, V.; Maurer, R. J.; Min, S. K.; Mitchell, I.; Negre, C.; Niehaus, T. A.; Niklasson, A. M. N.; Page, A. J.; Pecchia, A.; Penazzi, G.; Persson, M. P.; Rezac, J.; Sanchez, C. G.; Sternberg, M.; Stohr, M.; Stuckenberg, F.; Tkatchenko, A.; Yu, V. W. -Z.; Frauenheim, T.
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Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs
err2021-11-22
err29
errOAAI
errSmith, Daniel G. A.; 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 J. R.; 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; Martinez, Todd J.; Matthews, Devin A.; Schaefer, Henry F., III; Sponer, Jiri; 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.
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Anisotropic Interlayer Force Field for Transition Metal Dichalcogenides: The Case of Molybdenum Disulfide
err2021-11-01
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errOAAI
errOuyang, Wengen; Sofer, Reut; Gao, Xiang; Hermann, Jan; Tkatchenko, Alexandre; Kronik, Leeor; Urbakh, Michael; Hod, Oded
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Coulomb interactions between dipolar quantum fluctuations in van der Waals bound molecules and materials
err2021-01-08
err24
errOAAI
errStoehr, Martin; Sadhukhan, Mainak; Al-Hamdani, Yasmine S.; Hermann, Jan; Tkatchenko, Alexandre
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Deep-neural-network solution of the electronic Schrodinger equation
err2020-09-23
err328
PREAI
errHermann, Jan; Schaetzle, Zeno; Noe, Frank
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Fluctuational electrodynamics in atomic and macroscopic systems: van der Waals interactions and radiative heat transfer
err2020-08-05
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errOAAI
errVenkataram, Prashanth S.; Hermann, Jan; Tkatchenko, Alexandre; Rodriguez, Alejandro W.
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Recent developments in the PySCF program package
err2020-07-09
err482
errOAAI
errSun, 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
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DFTB plus , a software package for efficient approximate density functional theory based atomistic simulations
err2020-03-23
err801
errOAAI
errHourahine, B.; Aradi, B.; Blum, V.; Bonafe, F.; Buccheri, A.; Camacho, C.; Cevallos, C.; Deshaye, M. Y.; Dumitrica, T.; Dominguez, A.; Ehlert, S.; Elstner, M.; van der Heide, T.; Hermann, J.; Irle, S.; Kranz, J. J.; Koehler, C.; Kowalczyk, T.; Kubar, T.; Lee, I. S.; Lutsker, V.; Maurer, R. J.; Min, S. K.; Mitchell, I.; Negre, C.; Niehaus, T. A.; Niklasson, A. M. N.; Page, A. J.; Pecchia, A.; Penazzi, G.; Persson, M. P.; Rezac, J.; Sanchez, C. G.; Sternberg, M.; Stoehr, M.; Stuckenberg, F.; Tkatchenko, A.; Yu, V. W. -z.; Frauenheim, T.
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Impact of nuclear vibrations on van der Waals and Casimir interactions at zero and finite temperature
err2019-11-01
err9
errOAAI
errVenkataram, Prashanth S.; Hermann, Jan; Vongkovit, Teerit J.; Tkatchenko, Alexandre; Rodriguez, Alejandro W.
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Neuromonitoring During Robotic Cochlear Implantation: Initial Clinical Experience
err2018-07-26
err14
PREAI
errAnso, Juan; Scheidegger, Olivier; Wimmer, Wilhelm; Gavaghan, Kate; Gerber, Nicolas; Schneider, Daniel; Hermann, Jan; Rathgeb, Christoph; Dur, Cilgia; Rosler, Kai Michael; Mantokoudis, Georgios; Caversaccio, Marco; Weber, Stefan
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