EZFF: Python library for multi-objective parameterization and uncertainty quantification of interatomic forcefields for molecular dynamics

Document Details

Document Type
Pub Defense Publication
Publication Date
Jan 01, 2021
Source ID
10.1016/j.softx.2021.100663

Entities

People

  • Aiichiro Nakano
  • Ankit Mishra
  • Aravind Krishnamoorthy
  • Deepak Kamal
  • Ken-ichi Nomura
  • Priya Vashishta
  • Rajiv Kalia
  • Rampi Ramprasad
  • Subodh C Tiwari
  • Sungwook Hong