articleTop 1% cited
Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional
Nature Chemistry · 2016 · Vol. 8(9) · pp. 831–836
Jianwei Sun✉(Temple University)Richard C. Remsing(Temple University)Yubo Zhang(Temple University)Zhaoru Sun(Temple University)Adrienn Ruzsinszky(Temple University)Haowei Peng(Temple University)Zeng-hui Yang(Temple University)Arpita Paul(Jawaharlal Nehru Centre for Advanced Scientific Research)Umesh V. Waghmare(Jawaharlal Nehru Centre for Advanced Scientific Research)Xifan Wu(Temple University)Michael L. Klein(Temple University)John P. Perdew(Temple University)
Machine Learning in Materials ScienceInorganic Chemistry and Materials2D Materials and ApplicationsDensity functional theoryChemistryvan der Waals forceComputationRange (aeronautics)Ionic bondingMoleculeComputational chemistryAb initioSet (abstract data type)
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