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Computational Tools for Handling Molecular Clusters: Configurational Sampling, Storage, Analysis, and Machine Learning

Authors :
Jakub Kubečka
Vitus Besel
Ivo Neefjes
Yosef Knattrup
Theo Kurtén
Hanna Vehkamäki
Jonas Elm
Source :
ACS Omega, Vol 8, Iss 47, Pp 45115-45128 (2023)
Publication Year :
2023
Publisher :
American Chemical Society, 2023.

Subjects

Subjects :
Chemistry
QD1-999

Details

Language :
English
ISSN :
24701343
Volume :
8
Issue :
47
Database :
Directory of Open Access Journals
Journal :
ACS Omega
Publication Type :
Academic Journal
Accession number :
edsdoj.09cb56b1f9d84e269b72244d67185a3c
Document Type :
article
Full Text :
https://doi.org/10.1021/acsomega.3c07412