most citedEZFF: Python Library for Multi-Objective Parameterization and Uncertainty Quantification of Interatomic Forcefields for Molecular Dynamics

10 citations · 10 across the 1 of their papers we have counts for

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1 paper

physics.comp-ph2020★ 10 cited

EZFF: Python Library for Multi-Objective Parameterization and Uncertainty Quantification of Interatomic Forcefields for Molecular Dynamics

Aravind Krishnamoorthy, Ankit Mishra, Deepak Kamal +7

Parameterization of interatomic forcefields is a necessary first step in performing molecular dynamics simulations. This is a non-trivial global optimization problem involving quan…