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Journal of Chemical Theory and Computation|April 14, 2025
LeaPP: Learning Pathways to Polymorphs through Machine Learning Analysis of Atomic TrajectoriesSteven W Hall, Porhouy Minh, Sapna SarupriaThe Journal of Physical Chemistry. B|September 4, 2025
Crystal Nucleation Kinetics and Mechanism: Influence of Interaction PotentialPorhouy Minh, Steven W Hall, Ryan S DeFever, et al.The Journal of Chemical Physics|June 1, 2022
Practical guide to replica exchange transition interface sampling and forward flux samplingSteven W Hall, Grisell Díaz Leines, Sapna Sarupria, et al.Chemical Science|November 27, 2019
A generalized deep learning approach for local structure identification in molecular simulationsRyan S DeFever, Colin Targonski, Steven W Hall, et al.The Journal of Chemical Physics|August 12, 2017
The surface charge distribution affects the ice nucleating efficiency of silver iodideBrittany Glatz, Sapna SarupriaPhysical Review Letters|August 8, 2009
Quantifying water density fluctuations and compressibility of hydration shells of hydrophobic solutes and proteinsSapna Sarupria, Shekhar GardeLangmuir : the ACS Journal of Surfaces and Colloids|October 12, 2017
Heterogeneous Ice Nucleation: Interplay of Surface Properties and Their Impact on Water OrientationsBrittany Glatz, Sapna SarupriaThe Journal of Physical Chemistry. B|March 4, 2021
Advancing Rational Control of Peptide-Surface ComplexesSiva Dasetty, Sapna SarupriaThe Journal of Chemical Physics|January 17, 2019
Contour forward flux sampling: Sampling rare events along multiple collective variablesRyan S DeFever, Sapna SarupriaThe Journal of Physical Chemistry Letters|August 21, 2015
Homogeneous Nucleation of Methane Hydrate in Microsecond Molecular Dynamics SimulationsSapna Sarupria, Pablo G DebenedettiPageof 4