Search

Categories

Materials Science

(1)

Theoretical and Computational Chemistry

(3)

Content Types

Working Paper

(3)

Published Date

Over 3 years

(2)

Last 3 years

(1)

Keywords

Authors

Carsten Staacke

3 results in Authors: Carsten Staacke

Theoretical and Computational Chemistry

On the role of long-range electrostatics in machine-learned interatomic potentials for complex battery materials

Carsten G. Staacke, Hendrik H. Heenen, Christoph Scheurer, Gábor Csányi, Karsten Reuter, Johannes T. Margraf

Version 1 posted 26 July 2021

731

Downloads

Materials Science

Tackling structural complexity in Li2S-P2S5 Solid-State Electrolytes using Machine Learning Potentials

Carsten G Staacke, Tabea Huss, Johannes T Margraf, Karsten Reuter, Christoph Scheurer

Version 1 posted 27 June 2022

258

Downloads

Theoretical and Computational Chemistry

Kernel Charge Equilibration: Efficient and Accurate Prediction of Molecular Dipole Moments with a Machine-Learning Enhanced Electron Density Model

Carsten Staacke, Simon Wengert, Christian Kunkel, Gábor Csányi, Karsten Reuter, Johannes T. Margraf

Version 1 posted 25 November 2021

634

Downloads