Search

Categories

Theoretical and Computational Chemistry

(3)

Content Types

Working Paper

(3)

Published Date

Last 3 years

(3)

Last 12 months

(3)

Last 6 months

(1)

Keywords

Authors

Rolf David

3 results in Authors: Rolf David

Theoretical and Computational Chemistry

The competing reaction mechanisms of peptide bond formation in water revealed by deep potential molecular dynamics and path sampling

Rolf David, Iñaki Tuñón, Damien Laage

Version 1 posted 19 March 2024

208

Downloads

1

Citations

Theoretical and Computational Chemistry

Neural network potentials for exploring condensed phase chemical reactivity

Axel Gomez, Miguel de la Puente, Rolf David, Damien Laage

Version 2 posted 07 May 2024

534

Downloads

Theoretical and Computational Chemistry

Molecular mechanisms of phosphoester bond formation in abiotic conditions with reactive neural network potentials

Zakarya Benayad, Rolf David, Guillaume Stirnemann

Version 1 posted 06 December 2023

219

Downloads