EZFF: Python library for multi-objective parameterization and uncertainty quantification of interatomic forcefields for molecular dynamics
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Krishnamoorthy, A., Mishra, A., Kamal, D., Hong, S., Nomura, K., Tiwari, S., ... Vashishta, P.
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Krishnamoorthy, Aravind||Mishra, Ankit||Kamal, Deepak||Hong, Sungwook||Nomura, Ken-ichi||Tiwari, Subodh||Nakano, Aiichiro||Kalia, Rajiv||Ramprasad, Rampi||Vashishta, Priya
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Genetic Algorithm
Global Optimization
Interatomic Forcefield
Molecular Dynamics
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http://dx.doi.org/10.1016/j.softx.2021.100663