Open AccessUsing principal component analysis for neural network high-dimensional potential energy surface
Author(s) -
Bastien Casier,
S. Carniato,
Tsveta Miteva,
Nathalie Capron,
Nicolas Sisourat
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 - 10.1063/5.0009264
Subject(s) - principal component analysis , computer science , bottleneck , artificial neural network , context (archaeology) , computation , artificial intelligence , potential energy surface , set (abstract data type) , component (thermodynamics) , construct (python library) , machine learning , algorithm , chemistry , molecule , paleontology , physics , organic chemistry , programming language , biology , embedded system , thermodynamics
Accelerating Research
Robert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom
Address
John Eccles HouseRobert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom