Neural networks trained on molecular configurations from different force fields classify ZIF polymorph phases accurately in simulations and expose transition mechanisms without force-field bias.
Unveiling ZIF-8 Nucleation Mechanisms through Molecular Simulation: Role of Temperature, Solvent, and Reactant Concentration
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Force Field-Agnostic Phase Classification of Zeolitic Imidazolate Framework Polymorphs
Neural networks trained on molecular configurations from different force fields classify ZIF polymorph phases accurately in simulations and expose transition mechanisms without force-field bias.