Showing results (1-10 of 111) with videos related to
Sort By:
Pageof 12
Arxiv|August 1, 2026
Markov state models revisited: Principles and algorithms for unbiased observablesDavid Aristoff, Robert J Webber, Daniel M ZuckermanProceedings of the National Academy of Sciences of the United States of America|May 6, 2026
Randomized iterative trajectory reweighting for steady-state distributions without discretization errorSagar Kania, Robert J Webber, Gideon Simpson, et al.Multiscale Modeling & Simulation : a SIAM Interdisciplinary Journal|August 23, 2021
OPTIMIZING WEIGHTED ENSEMBLE SAMPLING OF STEADY STATESDavid Aristoff, Daniel M ZuckermanThe Journal of Chemical Physics|August 28, 2024
The fast committor machine: Interpretable prediction with kernelsDavid Aristoff, Mats Johnson, Gideon Simpson, et al.The Journal of Chemical Physics|November 10, 2019
Transient probability currents provide upper and lower bounds on non-equilibrium steady-state currents in the Smoluchowski pictureJeremy Copperman, David Aristoff, Dmitrii E Makarov, et al.The Journal of Chemical Physics|March 3, 2026
Reducing weighted ensemble variance with optimal trajectory managementWon Hee Ryu, John D Russo, Mats S Johnson, et al.Annual Review of Biophysics|March 5, 2011
Equilibrium sampling in biomolecular simulationsDaniel M ZuckermanThe Journal of Chemical Physics|August 9, 2024
Featurizing Koopman mode decomposition for robust forecastingDavid Aristoff, Jeremy Copperman, Nathan Mankovich, et al.Multiscale Modeling & Simulation : a SIAM Interdisciplinary Journal|May 31, 2016
A MATHEMATICAL FRAMEWORK FOR EXACT MILESTONINGDavid Aristoff, Juan M Bello-Rivas, Ron ElberJournal of Chemical Theory and Computation|August 27, 2011
Beyond microscopic reversibility: Are observable non-equilibrium processes precisely reversible?Divesh Bhatt, Daniel M ZuckermanPageof 12