Open AccessHarnessing the power of ab initio calculations, distributed computing andmachine learning to efficiently locate extreme molecules for use in carbon-based solar cells. Final Technical Report
Author(s) -
Alán AspuruGuzik
Publication year - 2020
Publication title -
osti oai (u.s. department of energy office of scientific and technical information)
Language(s) - English
Resource type - Reports
DOI - 10.2172/1561222
Subject(s) - virtual screening , computer science , supercomputer , kriging , computational science , photovoltaic system , ibm , ab initio , organic solar cell , computational chemistry , chemistry , materials science , nanotechnology , machine learning , molecular dynamics , parallel computing , engineering , organic chemistry , electrical engineering
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