most citedAssessment and optimization of the fast inertial relaxation engine (FIRE) for energy minimization in atomistic simulations and its implementation in LAMMPS

239 citations · 239 across the 1 of their papers we have counts for

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1 paper

physics.comp-ph2019★ 239 cited

Assessment and optimization of the fast inertial relaxation engine (FIRE) for energy minimization in atomistic simulations and its implementation in LAMMPS

Julien Guénolé, Wolfram G. Nöhring, Aviral Vaid +4

In atomistic simulations, pseudo-dynamics relaxation schemes often exhibit better performance and accuracy in finding local minima than line-search-based descent algorithms like st…