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Mark E Tuckerman

Showing results (31-40 of 109) with videos related to

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Journal of Chemical Theory and Computation|November 16, 2020
Molecular Dynamics with Very Large Time Steps for the Calculation of Solvation Free EnergiesCharlles R A Abreu, Mark E Tuckerman
Proceedings of the National Academy of Sciences of the United States of America|May 5, 2005
Ab initio molecular dynamics: concepts, recent developments, and future trendsRadu Iftimie, Peter Minary, Mark E Tuckerman
Physical Review Letters|October 13, 2007
Connecting solvation shell structure to proton transport kinetics in hydrogen-bonded networks via population correlation functionsAmalendu Chandra, Mark E Tuckerman, Dominik Marx
The Journal of Chemical Physics|August 3, 2012
Ab initio molecular dynamics study of water at constant pressure using converged basis sets and empirical dispersion correctionsZhonghua Ma, Yanli Zhang, Mark E Tuckerman
Chemical Reviews|February 23, 2010
Aqueous basic solutions: hydroxide solvation, structural diffusion, and comparison to the hydrated protonDominik Marx, Amalendu Chandra, Mark E Tuckerman
Accounts of Chemical Research|February 24, 2006
Structure and dynamics of OH-(aq)Mark E Tuckerman, Amalendu Chandra, Dominik Marx
The Journal of Chemical Physics|October 25, 2006
Molecular grand-canonical ensemble density functional theory and exploration of chemical spaceO Anatole von Lilienfeld, Mark E Tuckerman
Journal of Chemical Theory and Computation|December 26, 2025
Automated Machine Learning Pipeline: Large Language Models-Assisted Automated Data set Generation for Training Machine-Learned Interatomic PotentialsAdam Lahouari, Jutta Rogal, Mark E Tuckerman
Nano Letters|December 16, 2022
A Green's Function Approach for Determining Surface Induced Broadening and Shifting of Molecular Energy LevelsTamar Zelovich, Thorsten Hansen, Mark E Tuckerman
The Journal of Chemical Physics|October 5, 2010
A statistical mechanical theory of proton transport kinetics in hydrogen-bonded networks based on population correlation functions with applications to acids and basesMark E Tuckerman, Amalendu Chandra, Dominik Marx
Pageof 11

Showing results (31-40 of 109) with videos related to

Sort By:
Pageof 11
Journal of Chemical Theory and Computation|November 16, 2020
Molecular Dynamics with Very Large Time Steps for the Calculation of Solvation Free EnergiesCharlles R A Abreu, Mark E Tuckerman
Proceedings of the National Academy of Sciences of the United States of America|May 5, 2005
Ab initio molecular dynamics: concepts, recent developments, and future trendsRadu Iftimie, Peter Minary, Mark E Tuckerman
Physical Review Letters|October 13, 2007
Connecting solvation shell structure to proton transport kinetics in hydrogen-bonded networks via population correlation functionsAmalendu Chandra, Mark E Tuckerman, Dominik Marx
The Journal of Chemical Physics|August 3, 2012
Ab initio molecular dynamics study of water at constant pressure using converged basis sets and empirical dispersion correctionsZhonghua Ma, Yanli Zhang, Mark E Tuckerman
Chemical Reviews|February 23, 2010
Aqueous basic solutions: hydroxide solvation, structural diffusion, and comparison to the hydrated protonDominik Marx, Amalendu Chandra, Mark E Tuckerman
Accounts of Chemical Research|February 24, 2006
Structure and dynamics of OH-(aq)Mark E Tuckerman, Amalendu Chandra, Dominik Marx
The Journal of Chemical Physics|October 25, 2006
Molecular grand-canonical ensemble density functional theory and exploration of chemical spaceO Anatole von Lilienfeld, Mark E Tuckerman
Journal of Chemical Theory and Computation|December 26, 2025
Automated Machine Learning Pipeline: Large Language Models-Assisted Automated Data set Generation for Training Machine-Learned Interatomic PotentialsAdam Lahouari, Jutta Rogal, Mark E Tuckerman
Nano Letters|December 16, 2022
A Green's Function Approach for Determining Surface Induced Broadening and Shifting of Molecular Energy LevelsTamar Zelovich, Thorsten Hansen, Mark E Tuckerman
The Journal of Chemical Physics|October 5, 2010
A statistical mechanical theory of proton transport kinetics in hydrogen-bonded networks based on population correlation functions with applications to acids and basesMark E Tuckerman, Amalendu Chandra, Dominik Marx
Pageof 11