Molecular dynamics simulation of amorphous silica under uniaxial tension: From bulk to nanowire

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

A unified formulation of the constant temperature molecular dynamics methods

Shūichi Nosé · The Journal of Chemical Physics · 1984 · 18.9K citations · Full text

Natural Sciences, Chemistry, Physics +15

A molecular dynamics method for simulations in the canonical ensemble

Shūichi Nosé · Molecular Physics · 1984 · 10.1K citations

Natural Sciences, Chemistry, Physics +15

Force fields for silicas and aluminophosphates based on<i>ab initio</i>calculations

B. W. H. van Beest, G. J. Kramer, Rutger A. van Santen · Physical Review Letters · 1990 · 1.5K citations · Full text

Natural Sciences, Chemistry, Materials Science +17

Rapid estimation of elastic constants by molecular dynamics simulation under constant stress

Wataru Shinoda, Motoyuki Shiga, Masuhiro Mikami · Physical Review B · 2004 · 1.3K citations

Natural Sciences, Materials Engineering, Materials Science +17