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Martin Stöhr
Martin Stöhr
Sonstige NamenMartin Stoehr, Martin Stohr
Department of Chemistry, Stanford University
Bestätigte E-Mail-Adresse bei stanford.edu
Titel
Zitiert von
Zitiert von
Jahr
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 (12), 2020
9592020
Theory and practice of modeling van der Waals interactions in electronic-structure calculations
M Stöhr, T Van Voorhis, A Tkatchenko
Chemical Society Reviews 48 (15), 4118-4154, 2019
1702019
Accurate many-body repulsive potentials for density-functional tight binding from deep tensor neural networks
M Stöhr, L Medrano Sandonas, A Tkatchenko
The Journal of Physical Chemistry Letters 11 (16), 6835-6843, 2020
992020
Quantum-Mechanical Relation between Atomic Dipole Polarizability and the van der Waals Radius
DV Fedorov, M Sadhukhan, M Stöhr, A Tkatchenko
Physical Review Letters 121 (18), 183401, 2018
692018
Biomolecular dynamics with machine-learned quantum-mechanical force fields trained on diverse chemical fragments
OT Unke, M Stöhr, S Ganscha, T Unterthiner, H Maennel, S Kashubin, ...
Science Advances 10 (14), eadn4397, 2024
63*2024
Quantum mechanics of proteins in explicit water: The role of plasmon-like solute-solvent interactions
M Stöhr, A Tkatchenko
Science Advances 5 (12), eaax0024, 2019
632019
Communication: Charge-population based dispersion interactions for molecules and materials
M Stöhr, GS Michelitsch, JC Tully, K Reuter, RJ Maurer
The Journal of Chemical Physics 144 (15), 151101, 2016
442016
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 (1), 137, 2021
362021
Dynamics of Spatially Confined Bisphenol A Trimers in a Unimolecular Network on Ag (111)
JA Lloyd, AC Papageorgiou, S Fischer, SC Oh, Ö Saǧlam, K Diller, ...
Nano Letters 16 (3), 1884-1889, 2016
202016
Quantum-mechanical force balance between multipolar dispersion and Pauli repulsion in atomic van der Waals dimers
O Vaccarelli, DV Fedorov, M Stöhr, A Tkatchenko
Physical Review Research 3 (3), 033181, 2021
172021
libMBD: A general-purpose package for scalable quantum many-body dispersion calculations
J Hermann, M Stöhr, S Góger, S Chaudhuri, B Aradi, RJ Maurer, ...
The Journal of Chemical Physics 159 (17), 2023
102023
Supercharging semi-empirical Quantum Chemistry with Machine Learning
M Stoehr, T Martinez
APS March Meeting Abstracts 2023, Q60. 003, 2023
2023
Neural-Network Pauli Repulsion Potentials for Density-Functional Tight Binding for Large Molecular Systems
L Medrano Sandonas, M Puleva, M Stoehr, A Tkatchenko
APS March Meeting Abstracts 2023, S17. 013, 2023
2023
van der Waals Forces in Biomolecular Systems: from Solvation to Long-range Interaction Mechanisms
M Stoehr, M Gori, P Kurian, A Tkatchenko
APS March Meeting Abstracts 2021, E12. 011, 2021
2021
Accurate many-body repulsive potentials for density-functional tight binding from deep tensor neural networks
L Medrano Sandonas, M Stoehr, A Tkatchenko
APS March Meeting Abstracts 2021, C22. 011, 2021
2021
van der Waals Interactions in Confined Spaces: Surprises Beyond the Random-Phase Approximation
M Stoehr, M Sadhukhan, Y Al-Hamdani, J Hermann, A Tkatchenko
APS March Meeting Abstracts 2021, B19. 009, 2021
2021
Van der Waals Attraction and Pauli Repulsion: Learning New Tricks from an Old Dog
O Vaccarelli, D Fedorov, M Stoehr, A Tkatchenko
APS March Meeting Abstracts 2021, A19. 003, 2021
2021
Many-body dispersion effects and plasmonic correlations in the catalytic synchronization of a DNA-enzyme complex
M Gori, M Stoehr, A Tkatchenko, P Kurian
Bulletin of the American Physical Society 65, 2020
2020
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