Search

Categories

Analytical Chemistry

(1)

Theoretical and Computational Chemistry

(2)

Content Types

Working Paper

(2)

Published Date

Last 3 years

(2)

Keywords

Simulations

Authors

2 results in Keywords: Simulations

Theoretical and Computational Chemistry

HSQC Spectra Simulation and Matching for Molecular Identification

Martin Priessner, Anna Tomberg, Jon Paul Janet, Richard J. Lewis, Jonathan M. Goodman, Magnus J. Jonahnsson

Version 1 posted 11 October 2023

287

Downloads

Theoretical and Computational Chemistry

Using Machine Learning to Greatly Accelerate Path Integral Ab Initio Molecular Dynamics

Chenghan Li, Gregory A. Voth

Version 2 posted 04 January 2022

684

Downloads