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Membranes|June 2, 2021
OH- and H3O+ Diffusion in Model AEMs and PEMs at Low Hydration: Insights from Ab Initio Molecular DynamicsTamar Zelovich, Mark E TuckermanJournal of the American Chemical Society|October 28, 2004
Reaction pathway of the [4 + 2] Diels-Alder adduct formation on Si(100)-2 x 1Peter Minary, Mark E TuckermanJournal of the American Chemical Society|January 27, 2005
Reaction mechanism of cis-1,3-butadiene addition to the Si(100)-2 x 1 surfacePeter Minary, Mark E TuckermanThe Journal of Chemical Physics|August 17, 2011
Improving the convergence of closed and open path integral molecular dynamics via higher order Trotter factorization schemesAlejandro Pérez, Mark E TuckermanThe Journal of Physical Chemistry Letters|June 10, 2020
Water Layering Affects Hydroxide Diffusion in Functionalized Nanoconfined EnvironmentsTamar Zelovich, Mark E TuckermanNature Communications|November 11, 2024
Rapid prediction of molecular crystal structures using simple topological and physical descriptorsNikolaos Galanakis, Mark E TuckermanThe Journal of Chemical Physics|October 25, 2006
Structure of liquid water at ambient temperature from ab initio molecular dynamics performed in the complete basis set limitHee-Seung Lee, Mark E TuckermanThe Journal of Chemical Physics|December 17, 2008
Efficient solution of Poisson's equation using discrete variable representation basis sets for Car-Parrinello ab initio molecular dynamics simulations with cluster boundary conditionsHee-Seung Lee, Mark E TuckermanThe Journal of Chemical Physics|January 15, 2018
Molecular dynamics based enhanced sampling of collective variables with very large time stepsPei-Yang Chen, Mark E TuckermanThe Journal of Chemical Physics|May 5, 2007
Dynamical properties of liquid water from ab initio molecular dynamics performed in the complete basis set limitHee-Seung Lee, Mark E TuckermanPageof 1,185