Search

Categories

Organic Chemistry

(1)

Theoretical and Computational Chemistry

(2)

Content Types

Working Paper

(2)

Published Date

Last 3 years

(2)

Last 12 months

(2)

Last 6 months

(2)

Last 3 months

(1)

Keywords

Authors

Nils van Staalduinen

2 results in Authors: Nils van Staalduinen

Theoretical and Computational Chemistry

Tensor Train Optimization for Conformational Sampling of Organic Molecules

Christopher Zurek, Ruslan A. Mallaev, Alexander Paul, Nils van Staalduinen, Philipp Pracht, Roman Ellerbrock, Christoph Bannwarth

Version 1 posted 27 September 2024

526

Downloads

Theoretical and Computational Chemistry

MolBar: A Molecular Identifier for Inorganic and Organic Molecules with Full Support of Stereoisomerism

Nils van Staalduinen, Christoph Bannwarth

Version 2 posted 01 July 2024

642

Downloads

1

Citations