Force Field-Agnostic Phase Classification of Zeolitic Imidazolate Framework Polymorphs
This paper demonstrates that neural network classifiers trained on diverse force fields and descriptors can accurately and agnostically identify Zeolitic Imidazolate Framework (ZIF) polymorphs during molecular dynamics simulations, thereby enabling the detailed mechanistic study of phase transitions like ZIF-4-cp to ZIF-4-cp-II.