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The Journal of Chemical Physics|February 12, 2015
Extending atomistic simulation timescale in solid/liquid systems: crystal growth from solution by a parallel-replica dynamics and continuum hybrid methodChun-Yaung Lu, Arthur F Voter, Danny PerezJournal of Chemical Theory and Computation|March 16, 2026
Data-Driven Characterization and Acceleration of Metastable Dynamics Using Koopman OperatorsJulien Luzzatto, Feliks Nüske, Nicolas G Hadjiconstantinou, et al.Journal of Chemical Theory and Computation|March 12, 2024
Acceleration of Solvation Free Energy Calculation via Thermodynamic Integration Coupled with Gaussian Process Regression and Improved Gelman-Rubin Convergence DiagnosticsZhou Yu, Enrique R Batista, Ping Yang, et al.Physical Review Letters|March 28, 2015
Competing kinetics and he bubble morphology in WLuis Sandoval, Danny Perez, Blas P Uberuaga, et al.IEEE Transactions on Visualization and Computer Graphics|January 12, 2026
LAMDA: Aiding Visual Exploration of Atomic Displacements in Molecular Dynamics SimulationsRostyslav Hnatyshyn, Danny Perez, Gerik Scheuermann, et al.IEEE Transactions on Visualization and Computer Graphics|November 8, 2023
MolSieve: A Progressive Visual Analytics System for Molecular Dynamics SimulationsRostyslav Hnatyshyn, Jieqiong Zhao, Danny Perez, et al.Materials (Basel, Switzerland)|August 10, 2019
An Overview of Recent Standard and Accelerated Molecular Dynamics Simulations of Helium Behavior in TungstenLuis Sandoval, Danny Perez, Blas P Uberuaga, et al.Annual Review of Chemical and Biomolecular Engineering|March 17, 2016
The Modern Temperature-Accelerated Dynamics ApproachRichard J Zamora, Blas P Uberuaga, Danny Perez, et al.Physical Review Letters|April 27, 2011
Speed dependence of atomic stick-slip friction in optimally matched experiments and molecular dynamics simulationsQunyang Li, Yalin Dong, Danny Perez, et al.Journal of Chemical Theory and Computation|May 13, 2025
Data-Driven Kinetic Reaction Networks for Separation ChemistryJiyoung Lee, Logan J Augustine, Graeme Henkelman, et al.Pageof 6