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Journal of Chemical Theory and Computation
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September 15, 2025
High-Performance, High-Angular-Momentum J Engine on Graphics Processing Units
Elise Palethorpe, Giuseppe M J Barca
Journal of Chemical Theory and Computation
|
November 25, 2024
Advanced Techniques for High-Performance Fock Matrix Construction on GPU Clusters
Elise Palethorpe, Ryan Stocks, Giuseppe M J Barca
Journal of Chemical Theory and Computation
|
March 8, 2024
High-Performance Multi-GPU Analytic RI-MP2 Energy Gradients
Ryan Stocks, Elise Palethorpe, Giuseppe M J Barca
Journal of Chemical Theory and Computation
|
August 28, 2024
Multi-GPU RI-HF Energies and Analytic Gradients─Toward High-Throughput Ab Initio Molecular Dynamics
Ryan Stocks, Elise Palethorpe, Giuseppe M J Barca
Journal of Chemical Theory and Computation
|
May 5, 2026
Double-Hybrid, but Not Double-Cost: GPU-Accelerated DHDFT for the COMPAS-3 Data Set of Polybenzenoid Hydrocarbons
Ryan Stocks, Elise Palethorpe, Amir Karton, et al.
Journal of Chemical Theory and Computation
|
January 29, 2025
Acceleration of Self-Consistent Field Calculations Using Basis Set Projection and Many-Body Expansion as Initial Guess Methods
Fiona C Y Yu, Christopher Seidl, Elise Palethorpe, et al.
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Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
September 15, 2025
High-Performance, High-Angular-Momentum J Engine on Graphics Processing Units
Elise Palethorpe, Giuseppe M J Barca
Journal of Chemical Theory and Computation
|
November 25, 2024
Advanced Techniques for High-Performance Fock Matrix Construction on GPU Clusters
Elise Palethorpe, Ryan Stocks, Giuseppe M J Barca
Journal of Chemical Theory and Computation
|
March 8, 2024
High-Performance Multi-GPU Analytic RI-MP2 Energy Gradients
Ryan Stocks, Elise Palethorpe, Giuseppe M J Barca
Journal of Chemical Theory and Computation
|
August 28, 2024
Multi-GPU RI-HF Energies and Analytic Gradients─Toward High-Throughput Ab Initio Molecular Dynamics
Ryan Stocks, Elise Palethorpe, Giuseppe M J Barca
Journal of Chemical Theory and Computation
|
May 5, 2026
Double-Hybrid, but Not Double-Cost: GPU-Accelerated DHDFT for the COMPAS-3 Data Set of Polybenzenoid Hydrocarbons
Ryan Stocks, Elise Palethorpe, Amir Karton, et al.
Journal of Chemical Theory and Computation
|
January 29, 2025
Acceleration of Self-Consistent Field Calculations Using Basis Set Projection and Many-Body Expansion as Initial Guess Methods
Fiona C Y Yu, Christopher Seidl, Elise Palethorpe, et al.
Page
of 1