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Journal of Chemical Theory and Computation
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August 9, 2023
Accelerating Anharmonic Spectroscopy Simulations via Local-Mode, Multilevel Methods
Asylbek A Zhanserkeev, Emily L Yang, Ryan P Steele
Journal of Chemical Theory and Computation
|
July 29, 2021
Adiabatic Molecular Orbital Tracking in <i>Ab Initio</i> Molecular Dynamics
Asylbek A Zhanserkeev, Justin J Talbot, Ryan P Steele
Journal of the American Chemical Society
|
May 21, 2024
The Near-Sightedness of Many-Body Interactions in Anharmonic Vibrational Couplings
Ryan J Spencer, Asylbek A Zhanserkeev, Emily L Yang, et al.
The Journal of Chemical Physics
|
August 22, 2023
Accelerating and stabilizing the convergence of vibrational self-consistent field calculations via the direct inversion of the iterative subspace (vDIIS) algorithm
Emily L Yang, Ryan J Spencer, Asylbek A Zhanserkeev, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 4) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
August 9, 2023
Accelerating Anharmonic Spectroscopy Simulations via Local-Mode, Multilevel Methods
Asylbek A Zhanserkeev, Emily L Yang, Ryan P Steele
Journal of Chemical Theory and Computation
|
July 29, 2021
Adiabatic Molecular Orbital Tracking in <i>Ab Initio</i> Molecular Dynamics
Asylbek A Zhanserkeev, Justin J Talbot, Ryan P Steele
Journal of the American Chemical Society
|
May 21, 2024
The Near-Sightedness of Many-Body Interactions in Anharmonic Vibrational Couplings
Ryan J Spencer, Asylbek A Zhanserkeev, Emily L Yang, et al.
The Journal of Chemical Physics
|
August 22, 2023
Accelerating and stabilizing the convergence of vibrational self-consistent field calculations via the direct inversion of the iterative subspace (vDIIS) algorithm
Emily L Yang, Ryan J Spencer, Asylbek A Zhanserkeev, et al.
Page
of 1