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Physical Review Letters|August 27, 2025
Inferring the Isotropic-Nematic Phase Transition with Generative Machine LearningEric R Beyerle, Pratyush TiwaryThe Journal of Physical Chemistry. B|January 11, 2024
Thermodynamically Optimized Machine-Learned Reaction Coordinates for Hydrophobic Ligand DissociationEric R Beyerle, Pratyush TiwaryThe Journal of Physical Chemistry. B|May 23, 2022
Quantifying Energetic and Entropic Pathways in Molecular SystemsEric R Beyerle, Shams Mehdi, Pratyush TiwaryProceedings 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.Journal of Chemical Theory and Computation|June 11, 2024
Information Bottleneck Approach for Markov Model ConstructionDedi Wang, Yunrui Qiu, Eric R Beyerle, et al.Arxiv|July 1, 2024
An Information Bottleneck Approach for Markov Model ConstructionDedi Wang, Yunrui Qiu, Eric R Beyerle, 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 PandeyThe Journal of Physical Chemistry. B|July 22, 2014
A time-independent free energy estimator for metadynamicsPratyush Tiwary, Michele ParrinelloPageof 10