Electronic properties of WS2 and WSe2 monolayers with biaxial strain: A first-principles study

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 203.9K citations · Full text

Numerical Analysis, Engineering, Machine Learning +19

Projector augmented-wave method

Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 87.4K citations

Engineering, Optic Design, Augmentation Procedure +19

From ultrasoft pseudopotentials to the projector augmented-wave method

Georg Kresse, Daniel P. Joubert · Physical review. B, Condensed matter · 1999 · 80.7K citations

Optical Materials, Engineering, Acoustic Metamaterial +18

Electric Field Effect in Atomically Thin Carbon Films

Kostya S. Novoselov, A. K. Geǐm, Da Jiang et al. · Science · 2004 · 65.1K citations · Full text

Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction

Stefan Grimme · Journal of Computational Chemistry · 2006 · 29.9K citations

Materials Science, New Density Functional, Chemical Engineering +14