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Mark E Tuckerman

Showing results (61-70 of 109) with videos related to

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The Journal of Physical Chemistry. B|February 24, 2006
Ab initio molecular dynamics simulation of the structure and proton transport dynamics of methanol-water solutionsJoseph A Morrone, Kiryn E Haslinger, Mark E Tuckerman
The Journal of Chemical Physics|September 22, 2022
Imaginary-time open-chain path-integral approach for two-state time correlation functions and applications in charge transferZengkui Liu, Wen Xu, Mark E Tuckerman, et al.
The Journal of Physical Chemistry Letters|September 3, 2021
Characterizing and Contrasting Structural Proton Transport Mechanisms in Azole Hydrogen Bond Networks Using <i>Ab Initio</i> Molecular DynamicsAustin O Atsango, Mark E Tuckerman, Thomas E Markland
Journal of Chemical Theory and Computation|July 3, 2024
Machine Learning Classification of Local Environments in Molecular CrystalsDaisuke Kuroshima, Michael Kilgour, Mark E Tuckerman, et al.
Nature Communications|October 7, 2023
Machine learning electronic structure methods based on the one-electron reduced density matrixXuecheng Shao, Lukas Paetow, Mark E Tuckerman, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 7, 2005
Efficient evaluation of nonlocal pseudopotentials via Euler exponential spline interpolationHee-Seung Lee, Mark E Tuckerman, Glenn J Martyna
The Journal of Chemical Physics|January 1, 2018
From classical to quantum and back: Hamiltonian adaptive resolution path integral, ring polymer, and centroid molecular dynamicsKarsten Kreis, Kurt Kremer, Raffaello Potestio, et al.
Physical Chemistry Chemical Physics : PCCP|June 18, 2010
Ab initio molecular dynamics simulations investigating proton transfer in perfluorosulfonic acid functionalized carbon nanotubesBradley F Habenicht, Stephen J Paddison, Mark E Tuckerman
Science (New York, N.Y.)|November 8, 2014
Microscopic mechanisms of equilibrium melting of a solidAmit Samanta, Mark E Tuckerman, Tang-Qing Yu, et al.
Nature Communications|November 17, 2022
Machine learning the Hohenberg-Kohn map for molecular excited statesYuanming Bai, Leslie Vogt-Maranto, Mark E Tuckerman, et al.
Pageof 11

Showing results (61-70 of 109) with videos related to

Sort By:
Pageof 11
The Journal of Physical Chemistry. B|February 24, 2006
Ab initio molecular dynamics simulation of the structure and proton transport dynamics of methanol-water solutionsJoseph A Morrone, Kiryn E Haslinger, Mark E Tuckerman
The Journal of Chemical Physics|September 22, 2022
Imaginary-time open-chain path-integral approach for two-state time correlation functions and applications in charge transferZengkui Liu, Wen Xu, Mark E Tuckerman, et al.
The Journal of Physical Chemistry Letters|September 3, 2021
Characterizing and Contrasting Structural Proton Transport Mechanisms in Azole Hydrogen Bond Networks Using <i>Ab Initio</i> Molecular DynamicsAustin O Atsango, Mark E Tuckerman, Thomas E Markland
Journal of Chemical Theory and Computation|July 3, 2024
Machine Learning Classification of Local Environments in Molecular CrystalsDaisuke Kuroshima, Michael Kilgour, Mark E Tuckerman, et al.
Nature Communications|October 7, 2023
Machine learning electronic structure methods based on the one-electron reduced density matrixXuecheng Shao, Lukas Paetow, Mark E Tuckerman, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 7, 2005
Efficient evaluation of nonlocal pseudopotentials via Euler exponential spline interpolationHee-Seung Lee, Mark E Tuckerman, Glenn J Martyna
The Journal of Chemical Physics|January 1, 2018
From classical to quantum and back: Hamiltonian adaptive resolution path integral, ring polymer, and centroid molecular dynamicsKarsten Kreis, Kurt Kremer, Raffaello Potestio, et al.
Physical Chemistry Chemical Physics : PCCP|June 18, 2010
Ab initio molecular dynamics simulations investigating proton transfer in perfluorosulfonic acid functionalized carbon nanotubesBradley F Habenicht, Stephen J Paddison, Mark E Tuckerman
Science (New York, N.Y.)|November 8, 2014
Microscopic mechanisms of equilibrium melting of a solidAmit Samanta, Mark E Tuckerman, Tang-Qing Yu, et al.
Nature Communications|November 17, 2022
Machine learning the Hohenberg-Kohn map for molecular excited statesYuanming Bai, Leslie Vogt-Maranto, Mark E Tuckerman, et al.
Pageof 11