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Collaboration on Machine-Learned Potentials with IPSuite: A Modular Framework for Learning-on-the-Fly.

Authors :
Zills, Fabian
Schäfer, Moritz René
Segreto, Nico
Kästner, Johannes
Holm, Christian
Tovey, Samuel
Source :
Journal of Physical Chemistry B; 4/18/2024, Vol. 128 Issue 15, p3662-3676, 15p
Publication Year :
2024

Details

Language :
English
ISSN :
15206106
Volume :
128
Issue :
15
Database :
Supplemental Index
Journal :
Journal of Physical Chemistry B
Publication Type :
Academic Journal
Accession number :
176756859
Full Text :
https://doi.org/10.1021/acs.jpcb.3c07187