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.
Recent advances in stimuli-responsive framework materials: Understanding their response and searching for materials with targeted behavior
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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.