activity
20122025
most citedQuantum Monte Carlo for large chemical systems: Implementing efficient strategies for petascale platforms and beyond

35 citations · 66 across the 5 of their papers we have counts for

collaborators

5 papers

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.PF2025

MLKAPS: Machine Learning and Adaptive Sampling for HPC Kernel Auto-tuning

Mathys Jam, Eric Petit, Pablo de Oliveira Castro +3

Many High-Performance Computing (HPC) libraries rely on decision trees to select the best kernel hyperparameters at runtime,depending on the input and environment. However, finding…

physics.chem-ph2023★ 29 cited

TREXIO: A File Format and Library for Quantum Chemistry

Evgeny Posenitskiy, Vijay Gopal Chilkuri, Abdallah Ammar +13

TREXIO is an open-source file format and library developed for the storage and manipulation of data produced by quantum chemistry calculations. It is designed with the goal of prov…

cs.DC2015★ 2 cited

Minimizing Energy Consumption of MPI Programs in Realistic Environment

Amina Guermouche, Nicolas Triquenaux, Benoit Pradelle +1

Dynamic voltage and frequency scaling proves to be an efficient way of reducing energy consumption of servers. Energy savings are typically achieved by setting a well-chosen freque…

cs.PF2012★ 35 cited

Quantum Monte Carlo for large chemical systems: Implementing efficient strategies for petascale platforms and beyond

Anthony Scemama, Michel Caffarel, Emmanuel Oseret +1

Various strategies to implement efficiently QMC simulations for large chemical systems are presented. These include: i.) the introduction of an efficient algorithm to calculate the…