EZFF: Python library for multi-objective parameterization and uncertainty quantification of interatomic forcefields for molecular dynamics-Reference-Cited by-同舟云学术

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

Published:2021-01 Issue: Volume:13 Page:100663
ISSN:2352-7110
Container-title:SoftwareX
language:en
Short-container-title:SoftwareX

Author:

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

Funder

Multidisciplinary University Research Initiative

Publisher

Elsevier BV

Subject

Computer Science Applications,Software

Reference47 articles.

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4. Reactive force field for liquid hydrazoic acid with applications to detonation chemistry;Furman;J Phys Chem C,2016

5. Effects of nanoscale heterogeneities on the reactivity of shocked erythritol tetranitrate;Furman;J Phys Chem C,2016

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