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Proceedings of the National Academy of Sciences of the United States of America|March 5, 2015
Locating landmarks on high-dimensional free energy surfacesMing Chen, Tang-Qing Yu, Mark E TuckermanPhysical Review Letters|July 30, 2011
Temperature-accelerated method for exploring polymorphism in molecular crystals based on free energyTang-Qing Yu, Mark E TuckermanScience (New York, N.Y.)|November 8, 2014
Microscopic mechanisms of equilibrium melting of a solidAmit Samanta, Mark E Tuckerman, Tang-Qing Yu, et al.The Journal of Chemical Physics|July 19, 2012
Heating and flooding: a unified approach for rapid generation of free energy surfacesMing Chen, Michel A Cuendet, Mark E TuckermanThe Journal of Physical Chemistry Letters|March 3, 2022
Controlling Hydronium Diffusivity in Model Proton Exchange MembranesTamar Zelovich, Mark E TuckermanThe Journal of Chemical Physics|June 25, 2005
A polarizable multistate empirical valence bond model for proton transport in aqueous solutionGiuseppe Brancato, Mark E TuckermanThe Journal of Physical Chemistry. C, Nanomaterials and Interfaces|March 27, 2023
Hydroxide Diffusion in Functionalized Cylindrical Nanopores as Idealized Models of Anion Exchange Membrane Environments: An Ab Initio Molecular Dynamics StudyZhuoran Long, Mark E TuckermanThe Journal of Chemical Physics|June 25, 2005
Decomposing total IR spectra of aqueous systems into solute and solvent contributions: a computational approach using maximally localized Wannier orbitalsRadu Iftimie, Mark E TuckermanThe Journal of Physical Chemistry Letters|October 6, 2018
Finding Free-Energy Landmarks of Chemical ReactionsMotoyuki Shiga, Mark E TuckermanThe Journal of Chemical Physics|May 15, 2026
A staging Monte Carlo algorithm for sampling off-diagonal density matrix elements via open-chain path integralsAlan Robledo, Mark E TuckermanPageof 1,185