Maximum probability domains from Quantum Monte Carlo calculations. - Anthony Scemama; Michel Caffarel; Andreas Savin (J. Comput. Chem., 2007)

Common Format for Quantum Chemistry Interoperability: Q5Cost Format and Library. - Anthony Scemama; Antonio Monari; Celestino Angeli; Stefano Borini; Stefano Evangelisti; Elda Rossi (ICCSA (1), 2008)

IRPF90: a programming environment for high performance computing - Anthony Scemama (CoRR, 2009)

Spin-driven activation of dioxygen in various metalloenzymes and their inspired models. - Aurélien de la Lande; Dennis R. Salahub; Jacques Maddaluno; Anthony Scemama; Julien Pilmé; Olivier Parisel; Helene Gerard; Michel Caffarel; Jean-Philip Piquemal (J. Comput. Chem., 2011)

QMC=Chem: A Quantum Monte Carlo Program for Large-Scale Simulations in Chemistry at the Petascale Level and beyond. - Anthony Scemama; Michel Caffarel; Emmanuel Oseret; William Jalby (VECPAR, 2012)

Quantum monte carlo for large chemical systems: Implementing efficient strategies for petascale platforms and beyond. - Anthony Scemama; Michel Caffarel; Emmanuel Oseret; William Jalby (J. Comput. Chem., 2013)

A Sparse SCF algorithm and its parallel implementation: Application to DFTB. - Anthony Scemama; Nicolas Renon; Mathias Rapacioli (CoRR, 2014)

Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model. - Elda Rossi; Stefano Evangelisti; Antonio Laganà; Antonio Monari; Sergio Rampino; Marco Verdicchio; Kim K. Baldridge; Gian Luigi Bendazzoli; Stefano Borini; Renzo Cimiraglia; Celestino Angeli; Peter Kallay; et al. (J. Comput. Chem., 2014)

Quantum Monte Carlo with very large multideterminant wavefunctions. - Anthony Scemama; Thomas Applencourt; Emmanuel Giner; Michel Caffarel (J. Comput. Chem., 2016)

Pre-exascale Architectures: OpenPOWER Performance and Usability Assessment for French Scientific Community. - Gabriel Hautreux; Alfredo Buttari; Arnaud Beck; Victor Cameo; Dimitri Lecas; Dominique Aubert; Emeric Brun; Eric Boyer; Fausto Malvagi; Gabriel Staffelbach; Isabelle d'Ast; Joeffrey Legaux; et al. (ISC Workshops, 2017)

Exploring the role of mean-field potentials and short-range wave function behavior in the adiabatic connection. - Anthony Scemama; Andreas Savin (J. Comput. Chem., 2024)