Martin Stöhr

8PUBLICATIONS
45CO-AUTHORS
Theoretical quantum chemistryIntegrable systems (classical and quantum)Statistical mechanics in chemistryStatistical mechanics, physical combinatorics and mathematical aspects of condensed matterOptical properties of materials
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Publications (8)

|Jan 08, 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

|Oct 15, 2025
Accurate noncovalent interactions in atomistic systems via quantum Drude oscillators.

Almaz Khabibrakhmanov, Dmitry V Fedorov, Alberto Ambrosetti

|Apr 05, 2024
Biomolecular dynamics with machine-learned quantum-mechanical force fields trained on diverse chemical fragments.

Oliver T Unke, Martin Stöhr, Stefan Ganscha

|Nov 07, 2023
libMBD: A general-purpose package for scalable quantum many-body dispersion calculations.

Jan Hermann, Martin Stöhr, Szabolcs Góger

|Jul 22, 2022
Erratum: "DFTB+, a software package for efficient approximate density functional theory based atomistic simulations" [J. Chem. Phys. 152, 124101 (2020)].

B Hourahine, B Aradi, V Blum

|Jan 09, 2021
Coulomb interactions between dipolar quantum fluctuations in van der Waals bound molecules and materials.

Martin Stöhr, Mainak Sadhukhan, Yasmine S Al-Hamdani

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Frequent Collaborators

6 joint publications

Alexandre Tkatchenko

3 joint publications

Jan Hermann

3 joint publications

Reinhard J Maurer

2 joint publications

Bálint Aradi