GWTS algorithm

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The Ge, Wu, Todd, and Sadus (GWTS) algorithm [1] uses both equilibrium and nonequilibrium molecular dynamics to calculate the solid–liquid phase coexistence curve.

[edit] References

  1. ↑ Jialin Ge, Guang-Wen Wu, B. D. Todd, and Richard J. Sadus " Equilibrium and nonequilibrium molecular dynamics methods for determining solid–liquid phase coexistence at equilibrium", Journal of Chemical Physics 119 11017 (2003)
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