Atomic-level insights into strain effect on p-nitrophenol reduction via Au@Pd core–shell nanocubes as an ideal platform

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

Natural Sciences, Chemistry, Physics +16

Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

Georg Kresse, J. Furthmüller · Physical review. B, Condensed matter · 1996 · 120.5K citations

Natural Sciences, Chemistry, Computational Chemistry +15

Projector augmented-wave method

Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations

Natural Sciences, Chemistry, Physics +17

Fast Parallel Algorithms for Short-Range Molecular Dynamics

Steven J. Plimpton · Journal of Computational Physics · 1995 · 44.6K citations

Computing, High-performance Computing, Physics +10

Lattice-strain control of the activity in dealloyed core–shell fuel cell catalysts

Peter Strasser, Shirlaine Koh, Toyli Anniyev et al. · Nature Chemistry · 2010 · 2.9K citations

Natural Sciences, Chemical Engineering, Materials Science +12