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Linear Atomic Cluster Expansion Force Fields for Organic Molecules: Beyond RMSE. (2021)

First Author: Kovács DP
Attributed to:  Next generation atomistic modelling for medicinal chemistry and biology funded by UKRI FLF

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/acs.jctc.1c00647

PubMed Identifier: 34735161

Publication URI: http://europepmc.org/abstract/MED/34735161

Type: Journal Article/Review

Volume: 17

Parent Publication: Journal of chemical theory and computation

Issue: 12

ISSN: 1549-9618