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 (SC, 2020)

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 (SC, 2021)

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 (SC, 2022)

A Machine Learning Approach Towards Runtime Optimisation of Matrix Multiplication. - Yufan Xia; Marco De La Pierre; Amanda S. Barnard; Giuseppe M. J. Barca (IPDPS, 2023)

AliSim-HPC: parallel sequence simulator for phylogenetics. - Nhan Ly-Trong; Giuseppe M. J. Barca; Bui Quang Minh (Bioinform., 2023)

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 (ICPP, 2024)

Machine-Learning-Driven Runtime Optimization of BLAS Level 3 on Modern Multi-Core Systems. - Yufan Xia; Giuseppe Maria Junior Barca (IPDPS, 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 (SC, 2024)

Automatic molecular fragmentation by evolutionary optimisation. - Fiona C. Y. Yu; Jorge L. Galvez Vallejo; Giuseppe M. J. Barca (J. Cheminformatics, 2024)