29 citations
- Centre National de la Recherche ScientifiqueFR6 papers
- Centrale MéditerranéeFR5 papers
- Aix-Marseille UniversitéFR4 papers
- Institut des Matériaux, de Microélectronique et des Nanosciences de ProvenceFR4 papers
- Florida State UniversityUS2 papers
- Laboratoire de Chimie et Physique QuantiquesFR2 papers
- Laboratoire de l'Informatique du ParallélismeFR2 papers
- Laboratoire d’informatique Parallélisme Réseaux Algorithmes DistribuésFR2 papers
- National High Magnetic Field LaboratoryUS2 papers
- Qubit PharmaceuticalsFR2 papers
- Scuola Internazionale Superiore di Studi AvanzatiIT2 papers
- Université de Versailles Saint-Quentin-en-YvelinesFR2 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…
physics.chem-ph2022★ 21 cited
Wrinkling and crumpling in twisted few and multilayer CVD graphene: High density of edge modes influencing Raman spectra
D. Nikolaievskyi, M. Torregrosa, A. Merlen +8
Richness and complexity of Raman spectra related to graphene materials is established from years to decades, with, among others: the well-known G, D, 2D,... bands plus a plethora o…