📣 Help Shape the Future of UKRI's Gateway to Research (GtR)

We're improving UKRI's Gateway to Research and are seeking your input! If you would be interested in being interviewed about the improvements we're making and to have your say about how we can make GtR more user-friendly, impactful, and effective for the Research and Innovation community, please email gateway@ukri.org.

Generation of Quantum Configurational Ensembles Using Approximate Potentials (2021)

First Author: Morado J

Attributed to: The UK High-End Computing Consortium for Biomolecular Simulation funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/acs.jctc.1c00532

PubMed Identifier: 34644088

Publication URI: http://europepmc.org/abstract/MED/34644088

Type: Journal Article/Review

Parent Publication: Journal of Chemical Theory and Computation

Issue: 11

ISSN: 1549-9618