3 papers
physics.chem-ph2025
QMCkl: A Kernel Library for Quantum Monte Carlo Applications
Emiel Slootman, Vijay Gopal Chilkuri, Aurelien Delval +16
Quantum Monte Carlo (QMC) methods deliver highly accurate electronic structure calculations but are computationally intensive. The quantum Monte Carlo kernel library (QMCkl) provid…
cs.PF2025
Noise Injection for__Performance Bottleneck Analysis
Aurélien Delval, Pablo de Oliveira Castro, William Jalby +1
Bottleneck evaluation plays a crucial part in performance tuning of HPC applications, as it directly influences the search for optimizations and the selection of the best hardware…
cs.SE2024
Verificarlo CI: continuous integration for numerical optimization and debugging
Aurélien Delval, François Coppens, Eric Petit +2
Floating-point accuracy is an important concern when developing numerical simulations or other compute-intensive codes. Tracking the introduction of numerical regression is often d…