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Journal of Chemical Theory and Computation
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January 10, 2018
Higher-Order Extended Lagrangian Born-Oppenheimer Molecular Dynamics for Classical Polarizable Models
Alex Albaugh, Teresa Head-Gordon, Anders M N Niklasson
Journal of Chemical Theory and Computation
|
December 21, 2023
Limits on the Precision of Catenane Molecular Motors: Insights from Thermodynamics and Molecular Dynamics Simulations
Alex Albaugh, Rueih-Sheng Fu, Geyao Gu, et al.
The Journal of Chemical Physics
|
April 8, 2017
Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory
Valerio Vitale, Jacek Dziedzic, Alex Albaugh, et al.
The Journal of Physical Chemistry. B
|
August 12, 2016
Advanced Potential Energy Surfaces for Molecular Simulation
Alex Albaugh, Henry A Boateng, Richard T Bradshaw, et al.
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of 2
Search research articles
Search
Showing results (11-20 of 14) with videos related to
Sort By:
Page
of 2
You have reached the last page of results.
This site can display upto 14 results.
Journal of Chemical Theory and Computation
|
January 10, 2018
Higher-Order Extended Lagrangian Born-Oppenheimer Molecular Dynamics for Classical Polarizable Models
Alex Albaugh, Teresa Head-Gordon, Anders M N Niklasson
Journal of Chemical Theory and Computation
|
December 21, 2023
Limits on the Precision of Catenane Molecular Motors: Insights from Thermodynamics and Molecular Dynamics Simulations
Alex Albaugh, Rueih-Sheng Fu, Geyao Gu, et al.
The Journal of Chemical Physics
|
April 8, 2017
Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory
Valerio Vitale, Jacek Dziedzic, Alex Albaugh, et al.
The Journal of Physical Chemistry. B
|
August 12, 2016
Advanced Potential Energy Surfaces for Molecular Simulation
Alex Albaugh, Henry A Boateng, Richard T Bradshaw, et al.
Page
of 2