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M-Chem: a Modular Software Package for Molecular Simulation That Spans Scientific Domains.

Jagna Witek,Joseph P. Heindel,Xingyi Guan,Itai Leven,Hongxia Hao,Pavithra Naullage,Allen LaCour,Selim Sami, M. F. S. J. Menger,D. Vale Cofer-Shabica,Eric Berquist,Shirin Faraji,Evgeny Epifanovsky,Teresa Head-Gordon

MOLECULAR PHYSICS（2023）

Cited 3|Views21
Key words
Machine learning,force fields,molecular dynamics,QM,MM,simulation software
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