Jan Hermann
Jan Hermann
Microsoft Research
Verified email at - Homepage
Cited by
Cited by
First-principles models for van der Waals interactions in molecules and materials: Concepts, theory, and applications
J Hermann, RA DiStasio Jr, A Tkatchenko
Chemical Reviews 117, 4714–4758, 2017
DFTB+, a software package for efficient approximate density functional theory based atomistic simulations
B Hourahine, B Aradi, V Blum, F Bonafe, A Buccheri, C Camacho, ...
The Journal of Chemical Physics 152, 124101, 2020
Deep-neural-network solution of the electronic Schrödinger equation
J Hermann, Z Schätzle, F Noé
Nature Chemistry 12, 891–897, 2020
Recent developments in the PʏSCF program package
Q Sun, X Zhang, S Banerjee, P Bao, M Barbry, NS Blunt, NA Bogdanov, ...
The Journal of Chemical Physics 153, 024109, 2020
Nanoscale π–π stacked molecules are bound by collective charge fluctuations
J Hermann, D Alfe, A Tkatchenko
Nature Communications 8, 14052, 2017
Density functional model for van der Waals interactions: Unifying many-body atomic approaches with nonlocal functionals
J Hermann, A Tkatchenko
Physical Review Letters 124 (14), 146401, 2020
Theoretical investigation of the Friedländer reaction catalysed by CuBTC: Concerted effect of the adjacent Cu²⁺ sites
M Položij, E Pérez-Mayoral, J Čejka, J Hermann, P Nachtigall
Catalysis Today 204, 101–107, 2013
Electronic exchange and correlation in van der Waals systems: Balancing semilocal and nonlocal energy contributions
J Hermann, A Tkatchenko
Journal of Chemical Theory and Computation 14, 1361-1369, 2018
Unifying microscopic and continuum treatments of van der Waals and Casimir interactions
PS Venkataram, J Hermann, A Tkatchenko, AW Rodriguez
Physical Review Letters 118, 266802, 2017
Theoretical investigation of layered zeolite frameworks: Surface properties of 2D zeolites
J Hermann, M Trachta, P Nachtigall, O Bludský
Catalysis Today 227, 2–8, 2014
A novel correction scheme for DFT: A combined vdW-DF/CCSD(T) approach
J Hermann, O Bludský
The Journal of Chemical Physics 139, 034115, 2013
Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational …
DGA Smith, AT Lolinco, ZL Glick, J Lee, A Alenaizan, TA Barnes, ...
The Journal of Chemical Physics 155 (20), 204801, 2021
Roadmap on Machine Learning in Electronic Structure
H Kulik, T Hammerschmidt, J Schmidt, S Botti, MAL Marques, M Boley, ...
Electronic Structure, 2022
Coulomb interactions between dipolar quantum fluctuations in van der Waals bound molecules and materials
M Stöhr, M Sadhukhan, YS Al-Hamdani, J Hermann, A Tkatchenko
Nature Communications 12, 2021
Phonon-polariton mediated thermal radiation and heat transfer among molecules and macroscopic bodies: nonlocal electromagnetic response at mesoscopic scales
PS Venkataram, J Hermann, A Tkatchenko, AW Rodriguez
Physical Review Letters 121, 045901, 2018
Communication: Many-body stabilization of non-covalent interactions: Structure, stability, and mechanics of Ag₃Co(CN)₆ framework
X Liu, J Hermann, A Tkatchenko
The Journal of Chemical Physics 145 (24), 241101, 2016
Tuning intermolecular interactions with nanostructured environments
M Chattopadhyaya, J Hermann, I Poltavsky, A Tkatchenko
Chemistry of Materials 29 (6), 2452–2458, 2017
Convergence to the fixed-node limit in deep variational Monte Carlo
Z Schätzle, J Hermann, F Noé
The Journal of Chemical Physics 154 (12), 124108, 2021
Nonlocal electronic correlations in the cohesive properties of high-pressure hydrogen solids
TT Cui, JC Li, W Gao, J Hermann, A Tkatchenko, Q Jiang
The Journal of Physical Chemistry Letters 11 (4), 1521-1527, 2020
Impact of nuclear vibrations on van der Waals and Casimir interactions at zero and finite temperature
PS Venkataram, J Hermann, TJ Vongkovit, A Tkatchenko, AW Rodriguez
Science Advances 5 (11), eaaw0456, 2019
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