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Chemical Science
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August 3, 2022
Deep neural network based quantum simulations and quasichemical theory for accurate modeling of molten salt thermodynamics
Yu Shi, Stephen T Lam, Thomas L Beck
The Journal of Physical Chemistry. B
|
March 29, 2019
The Importance of the Water Molecular Quadrupole for Estimating Interfacial Potential Shifts Acting on Ions Near the Liquid-Vapor Interface
Carrie C Doyle, Yu Shi, Thomas L Beck
The Journal of Physical Chemistry Letters
|
October 18, 2021
Condensed Phase Water Molecular Multipole Moments from Deep Neural Network Models Trained on <i>Ab Initio</i> Simulation Data
Yu Shi, Carrie C Doyle, Thomas L Beck
Journal of Chemical Theory and Computation
|
February 21, 2024
All-Atom Biomolecular Simulation in the Exascale Era
Thomas L Beck, Paolo Carloni, Dilipkumar N Asthagiri
Journal of Statistical Physics
|
September 12, 2012
An Information Theory Approach to Nonlinear, Nonequilibrium Thermodynamics
David M Rogers, Thomas L Beck, Susan B Rempe
Proteins
|
September 2, 2004
Ion transit pathways and gating in ClC chloride channels
Jian Yin, Zhifeng Kuang, Uma Mahankali, et al.
Chemical Science
|
March 31, 2025
Consequences of the failure of equipartition for the <i>p</i>-<i>V</i> behavior of liquid water and the hydration free energy components of a small protein
Dilipkumar N Asthagiri, Arjun Valiya Parambathu, Thomas L Beck
The Journal of Physical Chemistry. B
|
August 22, 2015
Models of Ion Solvation Thermodynamics in Ethylene Carbonate and Propylene Carbonate
Ayse Arslanargin, August Powers, Thomas L Beck, et al.
The Journal of Chemical Physics
|
July 23, 2004
Flexible polyelectrolyte simulations at the Poisson-Boltzmann level: a comparison of the kink-jump and multigrid configurational-bias Monte Carlo methods
Stefan Tsonchev, Rob D Coalson, Anping Liu, et al.
The Journal of Physical Chemistry. B
|
January 5, 2026
Equipartition and the Temperature of Maximum Density of TIP4P/2005 Water
Dilipkumar N Asthagiri, Thiago Pinheiro Dos Santos, Thomas L Beck
Page
of 4
Search research articles
Search
Showing results (21-30 of 37) with videos related to
Sort By:
Page
of 4
Chemical Science
|
August 3, 2022
Deep neural network based quantum simulations and quasichemical theory for accurate modeling of molten salt thermodynamics
Yu Shi, Stephen T Lam, Thomas L Beck
The Journal of Physical Chemistry. B
|
March 29, 2019
The Importance of the Water Molecular Quadrupole for Estimating Interfacial Potential Shifts Acting on Ions Near the Liquid-Vapor Interface
Carrie C Doyle, Yu Shi, Thomas L Beck
The Journal of Physical Chemistry Letters
|
October 18, 2021
Condensed Phase Water Molecular Multipole Moments from Deep Neural Network Models Trained on <i>Ab Initio</i> Simulation Data
Yu Shi, Carrie C Doyle, Thomas L Beck
Journal of Chemical Theory and Computation
|
February 21, 2024
All-Atom Biomolecular Simulation in the Exascale Era
Thomas L Beck, Paolo Carloni, Dilipkumar N Asthagiri
Journal of Statistical Physics
|
September 12, 2012
An Information Theory Approach to Nonlinear, Nonequilibrium Thermodynamics
David M Rogers, Thomas L Beck, Susan B Rempe
Proteins
|
September 2, 2004
Ion transit pathways and gating in ClC chloride channels
Jian Yin, Zhifeng Kuang, Uma Mahankali, et al.
Chemical Science
|
March 31, 2025
Consequences of the failure of equipartition for the <i>p</i>-<i>V</i> behavior of liquid water and the hydration free energy components of a small protein
Dilipkumar N Asthagiri, Arjun Valiya Parambathu, Thomas L Beck
The Journal of Physical Chemistry. B
|
August 22, 2015
Models of Ion Solvation Thermodynamics in Ethylene Carbonate and Propylene Carbonate
Ayse Arslanargin, August Powers, Thomas L Beck, et al.
The Journal of Chemical Physics
|
July 23, 2004
Flexible polyelectrolyte simulations at the Poisson-Boltzmann level: a comparison of the kink-jump and multigrid configurational-bias Monte Carlo methods
Stefan Tsonchev, Rob D Coalson, Anping Liu, et al.
The Journal of Physical Chemistry. B
|
January 5, 2026
Equipartition and the Temperature of Maximum Density of TIP4P/2005 Water
Dilipkumar N Asthagiri, Thiago Pinheiro Dos Santos, Thomas L Beck
Page
of 4