A deformation–fluctuation hybrid method for fast evaluation of elastic constants with many-body potentials

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

Computer simulation of local order in condensed phases of silicon

Frank H. Stillinger, Thomas A. Weber · Physical review. B, Condensed matter · 1985 · 5.3K citations

Natural Sciences, Materials Science, Physics +16

A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons

Donald W. Brenner, Olga Shenderova, Judith A. Harrison et al. · Journal of Physics Condensed Matter · 2002 · 3.7K citations · Full text

Natural Sciences, Chemistry, Physics +17

Strain fluctuations and elastic constants

Michele Parrinello, A. Rahman · The Journal of Chemical Physics · 1982 · 897 citations

Natural Sciences, Materials Science, Physics +17

Second nearest-neighbor modified embedded-atom-method potential

Byeong‐Joo Lee, M. I. Baskes · Physical review. B, Condensed matter · 2000 · 685 citations

Natural Sciences, Materials Science, Physics +14