Concepedia

Martini straight: Boosting performance using a shorter cutoff and GPUs

Djurre H. de Jong, Svetlana Baoukina, Helgi I. Ingólfsson, ‪Siewert J. Marrink

Computer Physics Communications · 2015 · 481 citations · 18 references

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References

18

Molecular dynamics with coupling to an external bath

Herman J. C. Berendsen, Johan P. M. Postma, Wilfred F. van Gunsteren et al. · The Journal of Chemical Physics · 1984 · 31K citations · Full text

, , +17

Polymorphic transitions in single crystals: A new molecular dynamics method

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

, , +15

Canonical sampling through velocity rescaling

Giovanni Bussi, Davide Donadio, Michele Parrinello · The Journal of Chemical Physics · 2007 · 18.4K citations · Full text

, , +17

CRC Handbook of Chemistry and Physics

Devendra Leena P · Journal of Molecular Structure · 1992 · 9.4K citations

, , +12

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

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

, , +14