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Journal of Chemical Theory and Computation
|
November 15, 2021
Faster Self-Consistent Field (SCF) Calculations on GPU Clusters
Giuseppe M J Barca, Melisa Alkan, Jorge L Galvez-Vallejo, et al.
The Journal of Chemical Physics
|
April 28, 2023
Porting fragmentation methods to GPUs using an OpenMP API: Offloading the resolution-of-the-identity second-order Møller-Plesset perturbation method
Buu Q Pham, Laura Carrington, Ananta Tiwari, et al.
Chemical Science
|
June 19, 2018
A three body problem: a genuine hetero<i>tri</i>metallic molecule <i>vs.</i> a mixture of two parent hetero<i>bi</i>metallic molecules
Haixiang Han, Zheng Wei, Matthew C Barry, et al.
Angewandte Chemie (International Ed. in English)
|
March 14, 2020
Heterotrimetallic Mixed-Valent Molecular Precursors Containing Periodic Table Neighbors: Assignment of Metal Positions and Oxidation States
Haixiang Han, Jesse C Carozza, Audra P Colliton, et al.
Chemical Science
|
February 13, 2019
Three to tango requires a site-specific substitution: hetero<i>tri</i>metallic molecular precursors for high-voltage rechargeable batteries
Haixiang Han, Zheng Wei, Alexander S Filatov, 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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Search research articles
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Showing results (11-20 of 17) with videos related to
Sort By:
Page
of 2
You have reached the last page of results.
This site can display upto 17 results.
Journal of Chemical Theory and Computation
|
November 15, 2021
Faster Self-Consistent Field (SCF) Calculations on GPU Clusters
Giuseppe M J Barca, Melisa Alkan, Jorge L Galvez-Vallejo, et al.
The Journal of Chemical Physics
|
April 28, 2023
Porting fragmentation methods to GPUs using an OpenMP API: Offloading the resolution-of-the-identity second-order Møller-Plesset perturbation method
Buu Q Pham, Laura Carrington, Ananta Tiwari, et al.
Chemical Science
|
June 19, 2018
A three body problem: a genuine hetero<i>tri</i>metallic molecule <i>vs.</i> a mixture of two parent hetero<i>bi</i>metallic molecules
Haixiang Han, Zheng Wei, Matthew C Barry, et al.
Angewandte Chemie (International Ed. in English)
|
March 14, 2020
Heterotrimetallic Mixed-Valent Molecular Precursors Containing Periodic Table Neighbors: Assignment of Metal Positions and Oxidation States
Haixiang Han, Jesse C Carozza, Audra P Colliton, et al.
Chemical Science
|
February 13, 2019
Three to tango requires a site-specific substitution: hetero<i>tri</i>metallic molecular precursors for high-voltage rechargeable batteries
Haixiang Han, Zheng Wei, Alexander S Filatov, 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 2