Investigation on the efficiency and accuracy of methods for calculating melting temperature by molecular dynamics simulation

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

Polymorphic transitions in single crystals: A new molecular dynamics method

Michele Parrinello, A. Rahman · Journal of Applied Physics · 1981 · 20.2K citations

Natural Sciences, Chemistry, Physics +15

Constant pressure molecular dynamics algorithms

Glenn Martyna, Douglas J. Tobias, Michael L. Klein · The Journal of Chemical Physics · 1994 · 5.9K citations

Natural Sciences, Chemistry, Physics +13

<i>Understanding Molecular Simulation: From Algorithms to Applications</i>

Daan Frenkel, Berend Smit, Mark A. Ratner · Physics Today · 1997 · 5.1K citations

Natural Sciences, Materials Science, Physics +17

Bond-orientational order in liquids and glasses

Paul J. Steinhardt, David R. Nelson, Marco Ronchetti · Physical review. B, Condensed matter · 1983 · 3.5K citations

Natural Sciences, Physics, Condensed Matter Physics +13