Open AccessPerformant implementation of the atomic cluster expansion
Author(s) -
Yury Lysogorskiy,
Cas van der Oord,
Anton Bochkarev,
Sarath Me,
Matteo Rinaldi,
Thomas Hammerschmidt,
Matous Mrovec,
Aidan P. Thompson,
Gábor Cśanyi,
Christoph Ortner,
Ralf Drautz
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 - 10.2172/1772296
Subject(s) - cluster expansion , cluster (spacecraft) , atomic units , coupled cluster , atom (system on chip) , computer science , scale (ratio) , statistical physics , computational science , atomic physics , algorithm , physics , parallel computing , quantum mechanics , molecule , programming language
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