aflow plus plus : A C plus plus framework for autonomous materials design

Oses, C; Esters, M; Hicks, D; Divilov, S; Eckert, H; Friedrich, R; Mehl, MJ; Smolyanyuk, A; Campilongo, X; van de Walle, A; Schroers, J; Kusne, AG; Takeuchi, I; Zurek, E; Nardelli, MB; Fornari, M; Lederer, Y; Levy, O; Toher, C; Curtarolo, S

Curtarolo, S (通讯作者),Duke Univ, Dept Mech Engn & Mat Sci, Durham, NC 27708 USA.

COMPUTATIONAL MATERIALS SCIENCE, 2023; 217 ():

Abstract

The realization of novel technological opportunities given by computational and autonomous materials design requires efficient and effective framework......

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