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Free Energy Surface Reconstruction from Umbrella Samples Using Gaussian Process Regression. (2014)

First Author: Stecher T

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/ct500438v

PubMed Identifier: 26588550

Publication URI: http://europepmc.org/abstract/MED/26588550

Type: Journal Article/Review

Volume: 10

Parent Publication: Journal of chemical theory and computation

Issue: 9

ISSN: 1549-9618