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Guest editorial: Special Topic on software for atomistic machine learning.

Authors :
Rupp, Matthias
Küçükbenli, Emine
Csányi, Gábor
Source :
Journal of Chemical Physics. 8/14/2024, Vol. 161 Issue 6, p1-5. 5p.
Publication Year :
2024

Abstract

The Journal of Chemical Physics has released a special issue focused on software for atomistic machine learning. This issue aims to address the lack of journals dedicated to publishing scientific software papers. The collection of papers in this issue provides insight into the tools and goals of software implementations in the field of atomistic machine learning. The articles cover a range of topics, including machine-learning interatomic potentials, sampling, dataset repositories, workflows, and auxiliary tooling and analysis. The article concludes by emphasizing the importance of software implementations in the field and encourages further submissions on relevant topics. [Extracted from the article]

Details

Language :
English
ISSN :
00219606
Volume :
161
Issue :
6
Database :
Academic Search Index
Journal :
Journal of Chemical Physics
Publication Type :
Academic Journal
Accession number :
179023676
Full Text :
https://doi.org/10.1063/5.0228461