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The Journal of Chemical Physics
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October 23, 2021
Scalable ab initio fragmentation methods based on a truncated expansion of the non-orthogonal molecular orbital model
Bryce M Westheimer, Mark S Gordon
The Journal of Physical Chemistry. A
|
September 27, 2022
General, Rigorous Approach for the Treatment of Interfragment Covalent Bonds
Bryce M Westheimer, Mark S Gordon
Journal of Chemical Theory and Computation
|
May 20, 2026
Hierarchical Truncations for Many-Body Expansion Potentials
Bryce M Westheimer, Mark S Gordon, Emilie B Guidez, et al.
The Journal of Chemical Physics
|
July 27, 2023
Toward an extreme-scale electronic structure system
Jorge L Galvez Vallejo, Calum Snowdon, Ryan Stocks, et al.
Journal of Chemical Theory and Computation
|
October 4, 2023
The General Atomic and Molecular Electronic Structure System (GAMESS): Novel Methods on Novel Architectures
Federico Zahariev, Peng Xu, Bryce M Westheimer, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 5) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
October 23, 2021
Scalable ab initio fragmentation methods based on a truncated expansion of the non-orthogonal molecular orbital model
Bryce M Westheimer, Mark S Gordon
The Journal of Physical Chemistry. A
|
September 27, 2022
General, Rigorous Approach for the Treatment of Interfragment Covalent Bonds
Bryce M Westheimer, Mark S Gordon
Journal of Chemical Theory and Computation
|
May 20, 2026
Hierarchical Truncations for Many-Body Expansion Potentials
Bryce M Westheimer, Mark S Gordon, Emilie B Guidez, et al.
The Journal of Chemical Physics
|
July 27, 2023
Toward an extreme-scale electronic structure system
Jorge L Galvez Vallejo, Calum Snowdon, Ryan Stocks, et al.
Journal of Chemical Theory and Computation
|
October 4, 2023
The General Atomic and Molecular Electronic Structure System (GAMESS): Novel Methods on Novel Architectures
Federico Zahariev, Peng Xu, Bryce M Westheimer, et al.
Page
of 1