Open AccessIdentifying nonadditive contributions to the hydrophobicity of chemically heterogeneous surfaces via dual-loop active learning
Author(s) -
Atharva Kelkar,
Bradley C. Dallin,
Reid C. Van Lehn
Publication year - 2022
Publication title -
journal of chemical physics online/the journal of chemical physics/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 - 10.1063/5.0072385
Subject(s) - biomolecule , chemistry , molecular dynamics , biological system , polar , chemical physics , cluster analysis , molecule , monolayer , nanotechnology , computational chemistry , materials science , computer science , physics , organic chemistry , machine learning , astronomy , biology