29 citations
- Laboratoire de l'Informatique du ParallélismeFR12 papers
- Université de Versailles Saint-Quentin-en-YvelinesFR10 papers
- Université Paris-SaclayFR9 papers
- Centre National de la Recherche ScientifiqueFR5 papers
- Intel (United States)US4 papers
- Laboratoire de Chimie et Physique QuantiquesFR3 papers
- Université Toulouse III - Paul SabatierFR3 papers
- University of TwenteNL3 papers
- Atos (France)FR2 papers
- Centrale MéditerranéeFR2 papers
- Institut des Sciences Moléculaires de MarseilleFR2 papers
- Laboratoire de Recherche en InformatiqueFR2 papers
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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…
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…