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The Journal of Physical Chemistry. B|March 19, 2024
Enhanced Sampling of Crystal Nucleation with Graph Representation Learnt VariablesZiyue Zou, Pratyush TiwaryThe Journal of Physical Chemistry. B|November 17, 2021
Toward Automated Sampling of Polymorph Nucleation and Free Energies with the SGOOP and MetadynamicsZiyue Zou, Sun-Ting Tsai, Pratyush TiwaryThe Journal of Physical Chemistry. B|August 20, 2024
Simulating Crystallization in a Colloidal System Using State Predictive Information Bottleneck Based Enhanced SamplingVanessa J Meraz, Ziyue Zou, Pratyush TiwaryThe Journal of Physical Chemistry. B|January 23, 2024
Is the Local Ion Density Sufficient to Drive NaCl Nucleation from the Melt and Aqueous Solution?Ruiyu Wang, Shams Mehdi, Ziyue Zou, et al.Journal of Chemical Theory and Computation|December 12, 2023
Quantifying the Relevance of Long-Range Forces for Crystal Nucleation in WaterRenjie Zhao, Ziyue Zou, John D Weeks, et al.Annual Review of Physical Chemistry|February 21, 2024
Enhanced Sampling with Machine LearningShams Mehdi, Zachary Smith, Lukas Herron, et al.Proceedings of the National Academy of Sciences of the United States of America|February 9, 2023
Driving and characterizing nucleation of urea and glycine polymorphs in waterZiyue Zou, Eric R Beyerle, Sun-Ting Tsai, et al.The Journal of Physical Chemistry. B|November 10, 2017
Molecular Determinants and Bottlenecks in the Dissociation Dynamics of Biotin-StreptavidinPratyush TiwaryJournal of the American Chemical Society|May 9, 2025
Electric Field's Dueling Effects through Dehydration and Ion Separation in Driving NaCl Nucleation at Charged Nanoconfined InterfacesRuiyu Wang, Pratyush TiwaryActa Crystallographica. Section A, Foundations of Crystallography|October 18, 2007
An analytical expression for the characteristic length scale for randomly faulted hexagonal close-packed structuresPratyush Tiwary, Dhananjai PandeyPageof 10