IceCoder: Identification of Ice Phases in Molecular Simulation Using Variational Autoencoder

The identification and classification of different phases of ice within molecular simulations are challenging tasks due to the complex and varied phase space of ice, which includes numerous crystalline and amorphous forms. Traditional order parameters often struggle to differentiate between these ph...

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Bibliographic Details
Published in:Journal of chemical theory and computation Vol. 21; no. 4; p. 1916
Main Authors: Maity, Dibyendu, Chakrabarty, Suman
Format: Journal Article
Language:English
Published: United States 25.02.2025
ISSN:1549-9626, 1549-9626
Online Access:Get more information
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