Title	Publication Date	Language	Citations
Large excitonic effects in monolayers of molybdenum and tungsten dichalcogenides	2012/09/06	English	31
Functional designed to include surface effects in self-consistent density functional theory	2005/08/04	English	31
Quasiparticle band structure calculation of monolayer, bilayer, and bulk MoS2	2012/05/02	English	30
Benchmark ofGWmethods for azabenzenes	2012/12/26	English	30
Fundamental and excitation gaps in molecules of relevance for organic photovoltaics from an optimally tuned range-separated hybrid functional	2011/08/12	English	30
Self-consistent hybrid functional for condensed systems	2014/05/09	English	29
First-principles study of the structural, electronic, and optical properties ofGa2O3in its monoclinic and hexagonal phases	2006/11/27	English	29
Localization of interacting fermions at high temperature	2007/04/23	English	29
Jastrow correlation factor for atoms, molecules, and solids	2004/12/17	English	29
Decoherence and lead-induced interdot coupling in nonequilibrium electron transport through interacting quantum dots: A hierarchical quantum master equation approach	2013/12/20	English	29
Finite-size errors in continuum quantum Monte Carlo calculations	2008/09/12	English	29
First-principles study of metal adatom adsorption on graphene	2008/06/20	English	28
First-principles prediction of redox potentials in transition-metal compounds withLDA+U	2004/12/20	English	28
Monolayer honeycomb structures of group-IV elements and III-V binary compounds: First-principles calculations	2009/10/28	English	28
Thickness and strain effects on electronic structures of transition metal dichalcogenides: 2H-MX2semiconductors (M=Mo, W;X=S, Se, Te)	2012/01/17	English	28
Numerically exact path-integral simulation of nonequilibrium quantum transport and dissipation	2010/11/18	English	27
Assessing the quality of the random phase approximation for lattice constants and atomization energies of solids	2010/03/17	English	27
Learning scheme to predict atomic forces and accelerate materials simulations	2015/09/25	English	27
Phonon-limited mobility inn-type single-layer MoS2from first principles	2012/03/23	English	26
Phonon effects in molecular transistors: Quantal and classical treatment	2004/06/07	English	26
Interlayer cohesive energy of graphite from thermal desorption of polyaromatic hydrocarbons	2004/04/12	English	26
String-net condensation: A physical mechanism for topological phases	2005/01/12	English	26
Joint density functional theory of the electrode-electrolyte interface: Application to fixed electrode potentials, interfacial capacitances, and potentials of zero charge	2012/08/22	English	26
Solid-state optical absorption from optimally tuned time-dependent range-separated hybrid density functional theory	2015/08/26	English	26
First-principles study of anisotropic thermoelectric transport properties of IV-VI semiconductor compounds SnSe and SnS	2015/09/01	English	26
How to represent crystal structures for machine learning: Towards fast prediction of electronic properties	2014/05/21	English	26
Arsenene: Two-dimensional buckled and puckered honeycomb arsenic systems	2015/02/23	English	26
Skyrmion confinement in ultrathin film nanostructures in the presence of Dzyaloshinskii-Moriya interaction	2013/11/20	English	26
Exact Coulomb cutoff technique for supercell calculations	2006/05/26	English	26
Calculation of NMR chemical shifts for extended systems using ultrasoft pseudopotentials	2007/07/02	English	26