Search

Categories

Materials Chemistry

(1)

Physical Chemistry

(2)

Theoretical and Computational Chemistry

(3)

Content Types

Working Paper

(3)

Published Date

Over 3 years

(1)

Last 3 years

(2)

Last 12 months

(1)

Keywords

Authors

Stefan Zahn

3 results in Authors: Stefan Zahn

Theoretical and Computational Chemistry

Structure and transport properties of LiTFSI-based deep eutectic electrolytes from machine learning interatomic potential simulations

Omid Shayestehpour, Stefan Zahn

Version 1 posted 09 August 2024

922

Downloads

Theoretical and Computational Chemistry

Benchmark of Simplified Time-Dependent Density Functional Theory for UV-Vis Spectral Properties of Porphyrinoids

Kamal Batra, Stefan Zahn, Thomas Heine

Version 2 posted 13 November 2019

1,291

Downloads

Theoretical and Computational Chemistry

Efficient molecular dynamics simulations of deep eutectic solvents with first-principles accuracy using machine learning interatomic potentials

Omid Shayestehpour, Stefan Zahn

Version 1 posted 24 August 2023

489

Downloads