Open AccessQuantum Deep Descriptor: Physically Informed Transfer Learning from Small Molecules to Polymers
Author(s) -
Masashi Tsubaki,
Teruyasu Mizoguchi
Publication year - 2021
Publication title -
journal of chemical theory and computation
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 2.001
H-Index - 185
eISSN - 1549-9626
pISSN - 1549-9618
DOI - 10.1021/acs.jctc.1c00568
Subject(s) - computer science , quantum , density functional theory , transfer of learning , wave function , artificial intelligence , function (biology) , deep learning , machine learning , quantum mechanics , physics , evolutionary biology , biology