Ensembles Are Required to Handle Aleatoric and Parametric Uncertainty in Molecular Dynamics Simulation. (2021)

First Author: Vassaux M
Attributed to:  UK Consortium on Mesoscale Engineering Sciences (UKCOMES) funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/acs.jctc.1c00526

PubMed Identifier: 34280310

Publication URI: http://europepmc.org/abstract/MED/34280310

Type: Journal Article/Review

Volume: 17

Parent Publication: Journal of chemical theory and computation

Issue: 8

ISSN: 1549-9618