Towards accurate and scalable high-throughput MOF adsorption screening: merging classical force fields and universal machine learned interatomic potentials

Journal:
Chemical Science
Published:
DOI:
10.1039/d6sc00831c
Affiliations:
3
Authors:
5
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Institutions Authors Share
Institute Charles Gerhardt of Montpellier (ICGM), France
2.500000
 0.50
Matlantis Corporation, Japan
2.000000
 0.40
University Institute of France (IUF), France
0.500000
 0.10