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Journal of Chemical Theory and Computation
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April 4, 2022
A Task-Based Approach to Parallel Restricted Hartree-Fock Calculations
David Poole, Jorge L Galvez Vallejo, Mark S Gordon
Journal of Chemical Theory and Computation
|
July 9, 2020
A New Kid on the Block: Application of Julia to Hartree-Fock Calculations
David Poole, Jorge L Galvez Vallejo, Mark S Gordon
Physical Chemistry Chemical Physics : PCCP
|
October 6, 2021
Bonding analysis of water clusters using quasi-atomic orbitals
Jorge L Galvez Vallejo, Juan Duchimaza Heredia, Mark S Gordon
Physical Chemistry Chemical Physics : PCCP
|
October 4, 2023
Analysis of the bonding in tetrahedrane and phosphorus-substituted tetrahedranes
Daniel Del Angel Cruz, Jorge L Galvez Vallejo, Mark S Gordon
The Journal of Chemical Physics
|
June 5, 2026
Electron repulsion integral evaluation over f-type functions on GPUs via OpenMP offloading
Daniel Del Angel Cruz, Jorge L Galvez Vallejo, Mark S Gordon
Journal of Chemical Theory and Computation
|
November 18, 2020
High-Performance, Graphics Processing Unit-Accelerated Fock Build Algorithm
Giuseppe M J Barca, Jorge L Galvez-Vallejo, David L Poole, et al.
The Journal of Physical Chemistry. A
|
February 15, 2023
Quantum Chemical Modeling of Propellant Degradation
Jorge L Galvez Vallejo, Garrett M Tow, Edward J Maginn, et al.
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 Physical Chemistry. A
|
May 8, 2020
Novel Computer Architectures and Quantum Chemistry
Mark S Gordon, Giuseppe Barca, Sarom S Leang, 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.
Page
of 2
Search research articles
Search
Showing results (1-10 of 11) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
April 4, 2022
A Task-Based Approach to Parallel Restricted Hartree-Fock Calculations
David Poole, Jorge L Galvez Vallejo, Mark S Gordon
Journal of Chemical Theory and Computation
|
July 9, 2020
A New Kid on the Block: Application of Julia to Hartree-Fock Calculations
David Poole, Jorge L Galvez Vallejo, Mark S Gordon
Physical Chemistry Chemical Physics : PCCP
|
October 6, 2021
Bonding analysis of water clusters using quasi-atomic orbitals
Jorge L Galvez Vallejo, Juan Duchimaza Heredia, Mark S Gordon
Physical Chemistry Chemical Physics : PCCP
|
October 4, 2023
Analysis of the bonding in tetrahedrane and phosphorus-substituted tetrahedranes
Daniel Del Angel Cruz, Jorge L Galvez Vallejo, Mark S Gordon
The Journal of Chemical Physics
|
June 5, 2026
Electron repulsion integral evaluation over f-type functions on GPUs via OpenMP offloading
Daniel Del Angel Cruz, Jorge L Galvez Vallejo, Mark S Gordon
Journal of Chemical Theory and Computation
|
November 18, 2020
High-Performance, Graphics Processing Unit-Accelerated Fock Build Algorithm
Giuseppe M J Barca, Jorge L Galvez-Vallejo, David L Poole, et al.
The Journal of Physical Chemistry. A
|
February 15, 2023
Quantum Chemical Modeling of Propellant Degradation
Jorge L Galvez Vallejo, Garrett M Tow, Edward J Maginn, et al.
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 Physical Chemistry. A
|
May 8, 2020
Novel Computer Architectures and Quantum Chemistry
Mark S Gordon, Giuseppe Barca, Sarom S Leang, 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.
Page
of 2