Exploration, Sampling, And Reconstruction of Free Energy Surfaces with Gaussian Process Regression. (2016)

First Author: Mones L
Attributed to:  TOUCAN: TOwards an Understanding of CAtalysis on Nanoalloys funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/acs.jctc.6b00553

PubMed Identifier: 27598684

Publication URI: http://europepmc.org/abstract/MED/27598684

Type: Journal Article/Review

Volume: 12

Parent Publication: Journal of chemical theory and computation

Issue: 10

ISSN: 1549-9618