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Science Advances
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December 20, 2019
Quantum mechanics of proteins in explicit water: The role of plasmon-like solute-solvent interactions
Martin Stöhr, Alexandre Tkatchenko
Journal of Chemical Theory and Computation
|
January 8, 2026
Semiempirical Quantum Chemistry in the Age of <i>ab initio</i> Data and Differentiable Programming: I. Differentiable Molecular Orbital Theory
Martin Stöhr, Todd J Martínez
Chemical Society Reviews
|
June 14, 2019
Theory and practice of modeling van der Waals interactions in electronic-structure calculations
Martin Stöhr, Troy Van Voorhis, Alexandre Tkatchenko
The Journal of Physical Chemistry Letters
|
August 14, 2020
Accurate Many-Body Repulsive Potentials for Density-Functional Tight Binding from Deep Tensor Neural Networks
Martin Stöhr, Leonardo Medrano Sandonas, Alexandre Tkatchenko
Physical Review Letters
|
November 17, 2018
Quantum-Mechanical Relation between Atomic Dipole Polarizability and the van der Waals Radius
Dmitry V Fedorov, Mainak Sadhukhan, Martin Stöhr, et al.
Journal of Chemical Theory and Computation
|
November 5, 2025
Locating Ab Initio Transition States via Geodesic Construction on Machine-Learned Potential Energy Surfaces
Diptarka Hait, Jan D Estrada Pabón, Martin Stöhr, et al.
Nature Communications
|
January 9, 2021
Coulomb interactions between dipolar quantum fluctuations in van der Waals bound molecules and materials
Martin Stöhr, Mainak Sadhukhan, Yasmine S Al-Hamdani, et al.
The Journal of Chemical Physics
|
July 9, 2016
Communication: Charge-population based dispersion interactions for molecules and materials
Martin Stöhr, Georg S Michelitsch, John C Tully, et al.
The Journal of Chemical Physics
|
November 7, 2023
libMBD: A general-purpose package for scalable quantum many-body dispersion calculations
Jan Hermann, Martin Stöhr, Szabolcs Góger, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 26, 2026
Advancing density functional tight-binding method for large organic molecules through equivariant neural networks
Leonardo Medrano Sandonas, Mirela Puleva, Zekiye Erarslan, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 13) with videos related to
Sort By:
Page
of 2
Science Advances
|
December 20, 2019
Quantum mechanics of proteins in explicit water: The role of plasmon-like solute-solvent interactions
Martin Stöhr, Alexandre Tkatchenko
Journal of Chemical Theory and Computation
|
January 8, 2026
Semiempirical Quantum Chemistry in the Age of <i>ab initio</i> Data and Differentiable Programming: I. Differentiable Molecular Orbital Theory
Martin Stöhr, Todd J Martínez
Chemical Society Reviews
|
June 14, 2019
Theory and practice of modeling van der Waals interactions in electronic-structure calculations
Martin Stöhr, Troy Van Voorhis, Alexandre Tkatchenko
The Journal of Physical Chemistry Letters
|
August 14, 2020
Accurate Many-Body Repulsive Potentials for Density-Functional Tight Binding from Deep Tensor Neural Networks
Martin Stöhr, Leonardo Medrano Sandonas, Alexandre Tkatchenko
Physical Review Letters
|
November 17, 2018
Quantum-Mechanical Relation between Atomic Dipole Polarizability and the van der Waals Radius
Dmitry V Fedorov, Mainak Sadhukhan, Martin Stöhr, et al.
Journal of Chemical Theory and Computation
|
November 5, 2025
Locating Ab Initio Transition States via Geodesic Construction on Machine-Learned Potential Energy Surfaces
Diptarka Hait, Jan D Estrada Pabón, Martin Stöhr, et al.
Nature Communications
|
January 9, 2021
Coulomb interactions between dipolar quantum fluctuations in van der Waals bound molecules and materials
Martin Stöhr, Mainak Sadhukhan, Yasmine S Al-Hamdani, et al.
The Journal of Chemical Physics
|
July 9, 2016
Communication: Charge-population based dispersion interactions for molecules and materials
Martin Stöhr, Georg S Michelitsch, John C Tully, et al.
The Journal of Chemical Physics
|
November 7, 2023
libMBD: A general-purpose package for scalable quantum many-body dispersion calculations
Jan Hermann, Martin Stöhr, Szabolcs Góger, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 26, 2026
Advancing density functional tight-binding method for large organic molecules through equivariant neural networks
Leonardo Medrano Sandonas, Mirela Puleva, Zekiye Erarslan, et al.
Page
of 2