126 citations · 316 across the 10 of their papers we have counts for
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cond-mat.mtrl-sci2022★ 28 cited
Accelerating Equilibration in First-Principles Molecular Dynamics with Orbital-Free Density Functional Theory
Lenz Fiedler, Zhandos A. Moldabekov, Xuecheng Shao +4
We introduce a practical hybrid approach that combines orbital-free density functional theory (DFT) with Kohn-Sham DFT for speeding up first-principles molecular dynamics simulatio…
cond-mat.mtrl-sci2015★ 18 cited
Monolayer charge-neutral graphene on platinum with extremely weak electron-phonon coupling
Wei Yao, Eryin Wang, Ke Deng +13
Epitaxial growth of graphene on transition metal substrates is an important route for obtaining large scale graphene. However, the interaction between graphene and the substrate of…