Schröder, Markus Dr. rer. nat.Universität HeidelbergHeidelberg
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Neueste Publikationen in heiBIB 
(ingesamt sind 11 Publikationen erfasst)
- Shi, Lei: Full quantum dynamics study for H atom scattering from graphene / Lei Shi, Markus Schröder, Hans-Dieter Meyer, Daniel Peláez, Alec M. Wodtke, Kai Golibrzuch, Anna-Mar… , January 14, 2025. - 12 S. : Illustrationen
In: The journal of physical chemistry, ISSN 1520-5215. 129(2025), 7, Seite 1896-1907
DOI: 10.1021/acs.jpca.4c06712
- Shi, Lei: Erratum: “Quantum and classical molecular dynamics for H atom scattering from graphene” (J. Chem. Phys. 159, 194102 (2023)) / Lei Shi, Markus Schröder, Hans-Dieter Meyer, Daniel Peláez, Alec M. Wodtke, Kai Golibrzuch, Anna-Mar… , 7 August 2024. - 2 S. : Illustrationen
In: The journal of chemical physics, ISSN 1089-7690. 161(2024), 5 vom: Aug., Artikel-ID 059901, Seite 059901-1-059901-2
DOI: 10.1063/5.0227504
- Sasmal, Sudip: Compact sum-of-products form of the molecular electronic Hamiltonian based on canonical polyadic decomposition / Sudip Sasmal, Markus Schröder, and Oriol Vendrell, 14 February 2024. - 18 S. : Illustrationen
In: The journal of chemical physics, ISSN 1089-7690. 160(2024), 6, Artikel-ID 064109, Seite 064109-1-064109-18
DOI: 10.1063/5.0192012
- Shi, Lei: Quantum and classical molecular dynamics for H atom scattering from graphene / Lei Shi, Markus Schröder, Hans-Dieter Meyer, Daniel Peláez, Alec M. Wodtke, Kai Golibrzuch, Anna-Mar… , 21 November 2023. - 14 S.
In: The journal of chemical physics, ISSN 1089-7690. 159(2023), 19 vom: Nov., Artikel-ID 194102, Seite 1-14
DOI: 10.1063/5.0176655
- Schröder, Markus: The coupling of the hydrated proton to its first solvation shell / Markus Schröder, Fabien Gatti, David Lauvergnat, Hans-Dieter Meyer & Oriol Vendrell, 18 October 2022. - 9 S.
In: Nature Communications, ISSN 2041-1723. 13(2022), Artikel-ID 6170, Seite 1-9
DOI: 10.1038/s41467-022-33650-w
- Han, Shanyu: Representation of diabatic potential energy matrices for multiconfiguration time-dependent hartree treatments of high-dimensional nonadiabatic photodissociation dynamics / Shanyu Han, Markus Schröder, Fabien Gatti, Hans-Dieter Meyer, David Lauvergnat, David R. Yarkony, an… , July15, 2022. - 12 S.
In: Journal of chemical theory and computation, ISSN 1549-9626. 18(2022), 8, Seite 4627-4638
DOI: 10.1021/acs.jctc.2c00370
- Meng, Qingyong: High-dimensional quantum dynamics study on excitation-specific surface scattering including lattice effects of a five-atom surface cell / Qingyong Meng, Markus Schröder, and Hans-Dieter Meyer, April 27, 2021. - 12 S.
In: Journal of chemical theory and computation, ISSN 1549-9626. 17(2021), 5, Seite 2702-2713
DOI: 10.1021/acs.jctc.1c00241
- Schröder, Markus: Transforming high-dimensional potential energy surfaces into sum-of-products form using Monte Carlo methods / Markus Schröder and Hans-Dieter Meyer, 9 August 2017. - 17 S.
In: The journal of chemical physics, ISSN 1089-7690. 147(2017,6) Artikel-Nummer 064105, 17 Seiten
DOI: 10.1063/1.4991851
- Schröder, Markus: Calculation of the vibrational excited states of malonaldehyde and their tunneling splittings with the multi-configuration time-dependent Hartree method / Markus Schröder and Hans-Dieter Meyer, 21 July 2014. - 14$p141(2014,3) Artikel-Nummer 034116, 14 Seiten S.
In: The journal of chemical physics, ISSN 1089-7690. 141(2014), 3
DOI: 10.1063/1.4890116
- Joubert-Doriol, Loïc: Suitable coordinates for quantum dynamics : applications using the multiconfiguration time-dependent Hartree (MCTDH) algorithm / Loïc Joubert-Doriol, Benjamin Lasorne, Fabien Gatti, Markus Schröder, Oriol Vendrell, Hans-Dieter Me… , 18 January 2012. - 15 S.
In: Computational and theoretical chemistry, ISSN 2210-271X. 990(2012), Seite 75-89
DOI: 10.1016/j.comptc.2011.12.015
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