SPIRAL: An efficient algorithm for the integration of the equation of rotational motion

GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

M Abraham, Teemu J. Murtola, Roland Schulz et al. · SoftwareX · 2015 · 26.8K citations · Full text

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LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales

Aidan P. Thompson, Hasan Metin Aktulga, Richard Berger et al. · Computer Physics Communications · 2021 · 11.5K citations · Full text

Natural Sciences, Materials Science, Physics +16

Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules

Loup Verlet · Physical Review · 1967 · 9.3K citations · Full text

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Efficient implementation of essentially non-oscillatory shock-capturing schemes

Chi‐Wang Shu, Stanley Osher · Journal of Computational Physics · 1988 · 4.7K citations · Full text

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Elementary Differential Equations and Boundary Value Problems.

Donald H. Trahan, William E. Boyce, R. C. DiPrima · American Mathematical Monthly · 1979 · 2.3K citations

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