Title	Publication Date	Language	Citations
Formation enthalpies by mixing GGA and GGA+Ucalculations	2011/07/12	English	40
Beyond the locality approximation in the standard diffusion Monte Carlo method	2006/10/25	English	40
Misfit-energy-increasing dislocations in vapor-deposited CoFe/NiFe multilayers	2004/04/20	English	39
Interatomic potentials for ionic systems with density functional accuracy based on charge densities obtained by a neural network	2015/07/30	English	38
More accurate generalized gradient approximation for solids	2006/06/20	English	38
Optical dielectric function of gold	2012/12/28	English	37
Machine-learning approach for one- and two-body corrections to density functional theory: Applications to molecular and condensed water	2013/08/08	English	37
Assessment of correction methods for the band-gap problem and for finite-size effects in supercell defect calculations: Case studies for ZnO and GaAs	2008/12/04	English	37
Self-consistentGWcalculations for semiconductors and insulators	2007/06/04	English	37
Influence of quantum confinement on the electronic structure of the transition metal sulfideTS2	2011/06/30	English	37
Fractional charge perspective on the band gap in density-functional theory	2008/03/18	English	36
Phonons in single-layer and few-layer MoS2and WS2	2011/10/11	English	36
Uniaxial strain in graphene by Raman spectroscopy:Gpeak splitting, Grüneisen parameters, and sample orientation	2009/05/29	English	36
Topological field theory of time-reversal invariant insulators	2008/11/24	English	35
Measurement of the optical dielectric function of monolayer transition-metal dichalcogenides:MoS2,MoSe2,WS2, andWSe2	2014/11/17	English	35
Giant spin-orbit-induced spin splitting in two-dimensional transition-metal dichalcogenide semiconductors	2011/10/14	English	35
Topological nodal semimetals	2011/12/20	English	34
Classification of topological insulators and superconductors in three spatial dimensions	2008/11/26	English	34
Accuracy and transferability of Gaussian approximation potential models for tungsten	2014/09/24	English	33
Electron-phonon coupling and electron heat capacity of metals under conditions of strong electron-phonon nonequilibrium	2008/02/28	English	33
Graphane: A two-dimensional hydrocarbon	2007/04/10	English	33
Cohesive energy curves for noble gas solids calculated by adiabatic connection fluctuation-dissipation theory	2008/01/31	English	33
Adsorption ofH2O,NH3, CO,NO2, and NO on graphene: A first-principles study	2008/03/17	English	32
First-principles calculations of charged surfaces and interfaces: A plane-wave nonrepeated slab approach	2006/03/13	English	32
Low-energy effective Hamiltonian involving spin-orbit coupling in silicene and two-dimensional germanium and tin	2011/11/07	English	32
First-principles investigation of the very large perpendicular magnetic anisotropy at Fe|MgO and Co|MgO interfaces	2011/08/01	English	32
Cubic scaling algorithm for the random phase approximation: Self-interstitials and vacancies in Si	2014/08/25	English	32
First-principles study of the interaction and charge transfer between graphene and metals	2009/05/20	English	31
Effect of disorder on Raman scattering of single-layerMoS2	2015/05/11	English	31
Nonequilibrium quantum systems with electron-phonon interactions: Transient dynamics and approach to steady state	2014/05/27	English	31