Palethorpe, Elise

1. Breaking the Million-Electron and 1 EFLOP/s Barriers: Biomolecular-Scale Ab Initio Molecular Dynamics Using MP2 Potentials
   2024/10/29 by Ryan Stocks, Jorge L. Gálvez Vallejo, Jorge L. Galvez Vallejo +15 · 1 voice · 4 citations
   Biochemistry, Genetics and Molecular Biology · #ATP Synthase and ATPases Research #cs.DC #physics.chem-ph #physics.comp-ph
2. Multi-GPU RI-HF Energies and Analytic Gradients - Towards High Throughput Ab Initio Molecular Dynamics
   2024/07/29 by Stocks, Ryan, Palethorpe, Elise, Barca, Giuseppe M. J. · 1 citation
   #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Quantum Physics (quant-ph)
3. Advanced Techniques for High-Performance Fock Matrix Construction on GPU Clusters
   2024/07/31 by Palethorpe, Elise, Stocks, Ryan, Barca, Giuseppe M. J. · 1 citation
   #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Quantum Physics (quant-ph)