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Journal of Chemical Theory and Computation
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October 8, 2025
Efficient Algorithms for GPU Accelerated Evaluation of the DFT Exchange-Correlation Functional
Ryan Stocks, Giuseppe M J Barca
Journal of Chemical Theory and Computation
|
June 24, 2022
Q-Next: A Fast, Parallel, and Diagonalization-Free Alternative to Direct Inversion of the Iterative Subspace
Christopher Seidl, Giuseppe M J Barca
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
|
October 18, 2024
An Efficient RI-MP2 Algorithm for Distributed Many-GPU Architectures
Calum Snowdon, Giuseppe M J Barca
The Journal of Chemical Physics
|
July 17, 2017
Three- and four-electron integrals involving Gaussian geminals: Fundamental integrals, upper bounds, and recurrence relations
Giuseppe M J Barca, Pierre-François Loos
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
|
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
|
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
|
September 7, 2016
Two-Electron Integrals over Gaussian Geminals
Giuseppe M J Barca, Peter M W Gill
Bioinformatics (Oxford, England)
|
September 1, 2023
AliSim-HPC: parallel sequence simulator for phylogenetics
Nhan Ly-Trong, Giuseppe M J Barca, Bui Quang Minh
Page
of 3
Search research articles
Search
Showing results (1-10 of 25) with videos related to
Sort By:
Page
of 3
Journal of Chemical Theory and Computation
|
October 8, 2025
Efficient Algorithms for GPU Accelerated Evaluation of the DFT Exchange-Correlation Functional
Ryan Stocks, Giuseppe M J Barca
Journal of Chemical Theory and Computation
|
June 24, 2022
Q-Next: A Fast, Parallel, and Diagonalization-Free Alternative to Direct Inversion of the Iterative Subspace
Christopher Seidl, Giuseppe M J Barca
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
|
October 18, 2024
An Efficient RI-MP2 Algorithm for Distributed Many-GPU Architectures
Calum Snowdon, Giuseppe M J Barca
The Journal of Chemical Physics
|
July 17, 2017
Three- and four-electron integrals involving Gaussian geminals: Fundamental integrals, upper bounds, and recurrence relations
Giuseppe M J Barca, Pierre-François Loos
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
|
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
|
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
|
September 7, 2016
Two-Electron Integrals over Gaussian Geminals
Giuseppe M J Barca, Peter M W Gill
Bioinformatics (Oxford, England)
|
September 1, 2023
AliSim-HPC: parallel sequence simulator for phylogenetics
Nhan Ly-Trong, Giuseppe M J Barca, Bui Quang Minh
Page
of 3