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Works (6)

Erratum: “Quantum and classical molecular dynamics for H atom scattering from graphene” [J. Chem. Phys. 159, 194102 (2023)]

The Journal of Chemical Physics
2024-08-07 | Journal article
DOI: 10.1063/5.0227504
Contributors: Lei Shi; Markus Schröder; Hans-Dieter Meyer; Daniel Peláez; Alec M. Wodtke; Kai Golibrzuch; Anna-Maria Schönemann; Alexander Kandratsenka; Fabien Gatti
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Compact sum-of-products form of the molecular electronic Hamiltonian based on canonical polyadic decomposition

The Journal of Chemical Physics
2024-02-14 | Journal article
DOI: 10.1063/5.0192012
Contributors: Sudip Sasmal; Markus Schröder; Oriol Vendrell
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Quantum and classical molecular dynamics for H atom scattering from graphene

The Journal of Chemical Physics
2023-11-21 | Journal article
DOI: 10.1063/5.0176655
Contributors: Lei Shi; Markus Schröder; Hans-Dieter Meyer; Daniel Peláez; Alec M. Wodtke; Kai Golibrzuch; Anna-Maria Schönemann; Alexander Kandratsenka; Fabien Gatti
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State-resolved infrared spectrum of the protonated water dimer: revisiting the characteristic proton transfer doublet peak

Chemical Science
2022 | Journal article
DOI: 10.1039/D2SC03189B
Contributors: Henrik R. Larsson; Markus Schröder; Richard Beckmann; Fabien Brieuc; Christoph Schran; Dominik Marx; Oriol Vendrell
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The coupling of the hydrated proton to its first solvation shell

Nature Communications
2022-10-18 | Journal article
DOI: 10.1038/s41467-022-33650-w
Contributors: Markus Schröder; Fabien Gatti; David Lauvergnat; Hans-Dieter Meyer; Oriol Vendrell
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Transforming high-dimensional potential energy surfaces into a canonical polyadic decomposition using Monte Carlo methods

The Journal of Chemical Physics
2020-01-14 | Journal article
DOI: 10.1063/1.5140085
Contributors: Markus Schröder
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