Replacing Quantum Chemistry With Machine-Learned Interatomic Potentials: Revolution or Evolution? | ACS Central Science https://share.google/0Qh8OyJ1UvyAvtmrU
ACS Publications
Replacing Quantum
Chemistry With Machine-Learned Interatomic
Potentials: Revolution or Evolution?
Abstract. A long-standing goal in computational chemistry and materials
science
has been the development of general-purpose interatomic force fields
that d
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