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Nature Communications|April 12, 2019
Quantifying dissipation using fluctuating currentsJunang Li, Jordan M Horowitz, Todd R Gingrich, et al.Journal of Chemical Theory and Computation|March 5, 2019
Combining Iteration-Free Polarization with Large Time Step Stochastic-Isokinetic IntegrationAlex Albaugh, Mark E Tuckerman, Teresa Head-GordonThe Journal of Chemical Physics|December 9, 2024
From high-dimensional committors to reactive insightsNils E Strand, Schuyler B Nicholson, Hadrien Vroylandt, et al.Physical Review Letters|April 9, 2016
Dissipation Bounds All Steady-State Current FluctuationsTodd R Gingrich, Jordan M Horowitz, Nikolay Perunov, et al.The Journal of Physical Chemistry Letters|March 29, 2017
Accurate Classical Polarization Solution with No Self-Consistent Field IterationsAlex Albaugh, Anders M N Niklasson, Teresa Head-GordonJournal of Chemical Theory and Computation|January 10, 2018
Higher-Order Extended Lagrangian Born-Oppenheimer Molecular Dynamics for Classical Polarizable ModelsAlex Albaugh, Teresa Head-Gordon, Anders M N NiklassonProceedings of the National Academy of Sciences of the United States of America|August 31, 2016
Near-optimal protocols in complex nonequilibrium transformationsTodd R Gingrich, Grant M Rotskoff, Gavin E Crooks, et al.The Journal of Chemical Physics|April 8, 2017
Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theoryValerio Vitale, Jacek Dziedzic, Alex Albaugh, et al.The Journal of Physical Chemistry. B|August 12, 2016
Advanced Potential Energy Surfaces for Molecular SimulationAlex Albaugh, Henry A Boateng, Richard T Bradshaw, et al.Pageof 3