Jorge L. Galvez Vallejo

According to our database, Jorge L. Galvez Vallejo authored at least 6 papers between 2020 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2024

Automatic molecular fragmentation by evolutionary optimisation.

Fiona C. Y. Yu, Jorge L. Galvez Vallejo, Giuseppe M. J. Barca

J. Cheminformatics, December, 2024

Breaking the Million-Electron and 1 EFLOP/s Barriers: Biomolecular-Scale Ab Initio Molecular Dynamics Using MP2 Potentials.

Ryan Stocks, Jorge L. Galvez Vallejo, Fiona C. Y. Yu, Calum Snowdon, Elise Palethorpe, Jakub Kurzak, Dmytro Bykov, Giuseppe M. J. Barca

Proceedings of the International Conference for High Performance Computing, 2024

High-Performance, Accurate Large-Scale Quantum Chemistry Calculations on GPU Supercomputers using Coulomb-Perturbed Fragmentation.

Fazeleh S. Kazemian, Jorge L. Galvez Vallejo, Giuseppe M. J. Barca

Proceedings of the 53rd International Conference on Parallel Processing, 2024

2022

Scaling Correlated Fragment Molecular Orbital Calculations on Summit.

Giuseppe M. J. Barca, Calum Snowdon, Jorge L. Galvez Vallejo, Fazeleh S. Kazemian, Alistair P. Rendell, Mark S. Gordon

Proceedings of the SC22: International Conference for High Performance Computing, 2022

2021

Enabling large-scale correlated electronic structure calculations: scaling the RI-MP2 method on summit.

Giuseppe M. J. Barca, Jorge L. Galvez Vallejo, David L. Poole, Melisa Alkan, Ryan Stocks, Alistair P. Rendell, Mark S. Gordon

Proceedings of the International Conference for High Performance Computing, 2021

2020

Scaling the hartree-fock matrix build on summit.

Giuseppe M. J. Barca, David L. Poole, Jorge L. Galvez Vallejo, Melisa Alkan, Colleen Bertoni, Alistair P. Rendell, Mark S. Gordon

Proceedings of the International Conference for High Performance Computing, 2020