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Physical Review Letters
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April 7, 2010
Concerted hydrogen-bond dynamics in the transport mechanism of the hydrated proton: a first-principles molecular dynamics study
Timothy C Berkelbach, Hee-Seung Lee, Mark E Tuckerman
The Journal of Chemical Physics
|
March 29, 2013
Microscopic theory of singlet exciton fission. II. Application to pentacene dimers and the role of superexchange
Timothy C Berkelbach, Mark S Hybertsen, David R Reichman
The Journal of Chemical Physics
|
August 24, 2014
Microscopic theory of singlet exciton fission. III. Crystalline pentacene
Timothy C Berkelbach, Mark S Hybertsen, David R Reichman
The Journal of Physical Chemistry Letters
|
November 13, 2023
Can Spin-Component Scaled MP2 Achieve kJ/mol Accuracy for Cohesive Energies of Molecular Crystals?
Yu Hsuan Liang, Hong-Zhou Ye, Timothy C Berkelbach
The Journal of Physical Chemistry Letters
|
August 8, 2022
Ground-State Properties of Metallic Solids from Ab Initio Coupled-Cluster Theory
Verena A Neufeld, Hong-Zhou Ye, Timothy C Berkelbach
The Journal of Chemical Physics
|
November 8, 2022
Accurate thermochemistry of covalent and ionic solids from spin-component-scaled MP2
Tamar Goldzak, Xiao Wang, Hong-Zhou Ye, et al.
Journal of Chemical Theory and Computation
|
April 16, 2026
Markov State Models for Tracking Reaction Dynamics on Catalytic Nanoparticles
Caitlin A McCandler, Chatipat Lorpaiboon, Timothy C Berkelbach, et al.
The Journal of Chemical Physics
|
January 2, 2025
Simulating anharmonic vibrational polaritons beyond the long wavelength approximation
Dipti Jasrasaria, Arkajit Mandal, David R Reichman, et al.
Journal of Chemical Theory and Computation
|
August 8, 2019
Beyond Walkers in Stochastic Quantum Chemistry: Reducing Error Using Fast Randomized Iteration
Samuel M Greene, Robert J Webber, Jonathan Weare, et al.
Journal of Chemical Theory and Computation
|
July 23, 2020
Improved Fast Randomized Iteration Approach to Full Configuration Interaction
Samuel M Greene, Robert J Webber, Jonathan Weare, et al.
Page
of 9
Search research articles
Search
Showing results (41-50 of 85) with videos related to
Sort By:
Page
of 9
Physical Review Letters
|
April 7, 2010
Concerted hydrogen-bond dynamics in the transport mechanism of the hydrated proton: a first-principles molecular dynamics study
Timothy C Berkelbach, Hee-Seung Lee, Mark E Tuckerman
The Journal of Chemical Physics
|
March 29, 2013
Microscopic theory of singlet exciton fission. II. Application to pentacene dimers and the role of superexchange
Timothy C Berkelbach, Mark S Hybertsen, David R Reichman
The Journal of Chemical Physics
|
August 24, 2014
Microscopic theory of singlet exciton fission. III. Crystalline pentacene
Timothy C Berkelbach, Mark S Hybertsen, David R Reichman
The Journal of Physical Chemistry Letters
|
November 13, 2023
Can Spin-Component Scaled MP2 Achieve kJ/mol Accuracy for Cohesive Energies of Molecular Crystals?
Yu Hsuan Liang, Hong-Zhou Ye, Timothy C Berkelbach
The Journal of Physical Chemistry Letters
|
August 8, 2022
Ground-State Properties of Metallic Solids from Ab Initio Coupled-Cluster Theory
Verena A Neufeld, Hong-Zhou Ye, Timothy C Berkelbach
The Journal of Chemical Physics
|
November 8, 2022
Accurate thermochemistry of covalent and ionic solids from spin-component-scaled MP2
Tamar Goldzak, Xiao Wang, Hong-Zhou Ye, et al.
Journal of Chemical Theory and Computation
|
April 16, 2026
Markov State Models for Tracking Reaction Dynamics on Catalytic Nanoparticles
Caitlin A McCandler, Chatipat Lorpaiboon, Timothy C Berkelbach, et al.
The Journal of Chemical Physics
|
January 2, 2025
Simulating anharmonic vibrational polaritons beyond the long wavelength approximation
Dipti Jasrasaria, Arkajit Mandal, David R Reichman, et al.
Journal of Chemical Theory and Computation
|
August 8, 2019
Beyond Walkers in Stochastic Quantum Chemistry: Reducing Error Using Fast Randomized Iteration
Samuel M Greene, Robert J Webber, Jonathan Weare, et al.
Journal of Chemical Theory and Computation
|
July 23, 2020
Improved Fast Randomized Iteration Approach to Full Configuration Interaction
Samuel M Greene, Robert J Webber, Jonathan Weare, et al.
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of 9