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Mark E Tuckerman

Showing results (11-20 of 109) with videos related to

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Journal 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 Tuckerman
Journal 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 Tuckerman
The 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 Tuckerman
The Journal of Physical Chemistry Letters|June 10, 2020
Water Layering Affects Hydroxide Diffusion in Functionalized Nanoconfined EnvironmentsTamar Zelovich, Mark E Tuckerman
Nature Communications|November 11, 2024
Rapid prediction of molecular crystal structures using simple topological and physical descriptorsNikolaos Galanakis, Mark E Tuckerman
Physical Review Letters|July 30, 2011
Temperature-accelerated method for exploring polymorphism in molecular crystals based on free energyTang-Qing Yu, Mark E Tuckerman
The 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 Tuckerman
The 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 Tuckerman
The Journal of Chemical Physics|January 15, 2018
Molecular dynamics based enhanced sampling of collective variables with very large time stepsPei-Yang Chen, Mark E Tuckerman
The 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 Tuckerman
Pageof 11

Showing results (11-20 of 109) with videos related to

Sort By:
Pageof 11
Journal 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 Tuckerman
Journal 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 Tuckerman
The 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 Tuckerman
The Journal of Physical Chemistry Letters|June 10, 2020
Water Layering Affects Hydroxide Diffusion in Functionalized Nanoconfined EnvironmentsTamar Zelovich, Mark E Tuckerman
Nature Communications|November 11, 2024
Rapid prediction of molecular crystal structures using simple topological and physical descriptorsNikolaos Galanakis, Mark E Tuckerman
Physical Review Letters|July 30, 2011
Temperature-accelerated method for exploring polymorphism in molecular crystals based on free energyTang-Qing Yu, Mark E Tuckerman
The 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 Tuckerman
The 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 Tuckerman
The Journal of Chemical Physics|January 15, 2018
Molecular dynamics based enhanced sampling of collective variables with very large time stepsPei-Yang Chen, Mark E Tuckerman
The 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 Tuckerman
Pageof 11