Karsten Reuter

14PUBLICATIONS
23CO-AUTHORS
Theoretical quantum chemistryComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Chemical and thermal processes in energy and combustionNonlinear optics and spectroscopyChemical thermodynamics and energetics
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Publications (14)

|Jan 01, 2022
Data-efficient iterative training of Gaussian approximation potentials: Application to surface structure determination of rutile IrO2 and RuO2.

Jakob Timmermann, Yonghyuk Lee, Carsten G Staacke

|Nov 21, 2021
Static and dynamic water structures at interfaces: A case study with focus on Pt(111).

Alexandra C Dávila López, Thorben Eggert, Karsten Reuter

|Aug 24, 2020
Interface between graphene and liquid Cu from molecular dynamics simulations.

Juan Santiago Cingolani, Martin Deimel, Simone Köcher

|Jul 01, 2019
Towards density functional approximations from coupled cluster correlation energy densities.

Johannes T Margraf, Christian Kunkel, Karsten Reuter

|Feb 24, 2019
Efficient simulation of near-edge x-ray absorption fine structure (NEXAFS) in density-functional theory: Comparison of core-level constraining approaches.

Georg S Michelitsch, Karsten Reuter

|Feb 03, 2019
Generalized molecular solvation in non-aqueous solutions by a single parameter implicit solvation scheme.

Christoph Hille, Stefan Ringe, Martin Deimel

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Frequent Collaborators

4 joint publications

Harald Oberhofer

3 joint publications

Mie Andersen

2 joint publications

Craig P Plaisance

2 joint publications

Christoph Scheurer