国家/地区 Germany（3）
关键词 MACHINE LEARNING（3）
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Graphene at Liquid Copper Catalysts: Atomic-Scale Agreement of Experimental and First-Principles Adsorption Height

ADVANCED SCIENCE

GAO H, BELOVA V, LA PORTA F, CINGOLANI JS, ANDERSEN M, SAEDI M, KONOVALOV OV, JANKOWSKI M, HEENEN HH, GROOT IMN, RENAUD G, REUTER K

Adaptive regularized Gaussian process regression for application in the context of hydrogen adsorption on graphene sheets

JOURNAL OF COMPUTATIONAL CHEMISTRY

SCHMITZ G, SCHNIEDER B

First-Principles Multiscale Modeling of Mechanical Properties in Graphene/Borophene Heterostructures Empowered by Machine-Learning Interatomic Potentials

ADVANCED MATERIALS

MORTAZAVI B, SILANI M, PODRYABINKIN EV, RABCZUK T, ZHUANG XY, SHAPEEV AV