729 citations · 1.3k across the 19 of their papers we have counts for
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physics.comp-ph2016★ 729 cited
By-passing the Kohn-Sham equations with machine learning
Felix Brockherde, Leslie Vogt, Li Li +3
Last year, at least 30,000 scientific papers used the Kohn-Sham scheme of density functional theory to solve electronic structure problems in a wide variety of scientific fields, r…
physics.chem-ph2016★ 72 cited
Competing quantum effects in the free energy profiles and diffusion rates of hydrogen and deuterium molecules through clathrate hydrates
Joseph R. Cendagorta, Anna Powers, Timothy J. H. Hele +3
Clathrate hydrates hold considerable promise as safe and economical materials for hydrogen storage. Here we present a quantum mechanical study of H and D diffusion through…