Open AccessAccelerating Finite-Temperature Kohn-Sham Density Functional Theory with Deep Neural Networks
Author(s) -
John Ellis,
Lenz Fielder,
Gabriel Popoola,
Normand A. Modine,
John Stephens,
Attila Cangi,
Aidan P. Thompson,
Sivasankaran Rajamanickam
Publication year - 2021
Publication title -
osti oai (u.s. department of energy office of scientific and technical information)
Language(s) - English
Resource type - Reports
DOI - 10.2172/1817970
Subject(s) - density functional theory , path (computing) , artificial neural network , computer science , kohn–sham equations , scale (ratio) , artificial intelligence , statistical physics , machine learning , physics , quantum mechanics , programming language
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