Open AccessConfronting pitfalls of AI-augmented molecular dynamics using statistical physics
Author(s) -
Shashank Pant,
Zachary Smith,
Yihang Wang,
Emad Tajkhorshid,
Pratyush Tiwary
Publication year - 2020
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/5.0030931
Subject(s) - spurious relationship , computer science , molecular dynamics , benchmark (surveying) , energy landscape , folding (dsp implementation) , domain (mathematical analysis) , artificial intelligence , machine learning , physics , chemistry , computational chemistry , mathematics , mathematical analysis , geodesy , engineering , electrical engineering , thermodynamics , geography
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