Quantum Package 2.0: An Open-Source Determinant-Driven Suite of Programs

Author:

Garniron Yann1,Applencourt Thomas2,Gasperich Kevin23ORCID,Benali Anouar2ORCID,Ferté Anthony4,Paquier Julien4,Pradines Barthélémy45,Assaraf Roland4,Reinhardt Peter4ORCID,Toulouse Julien4,Barbaresco Pierrette6,Renon Nicolas6,David Grégoire7,Malrieu Jean-Paul1ORCID,Véril Mickaël1,Caffarel Michel1,Loos Pierre-François1ORCID,Giner Emmanuel4ORCID,Scemama Anthony1

Affiliation:

1. Laboratoire de Chimie et Physique Quantiques (UMR 5626), Université de Toulouse, CNRS, UPS, Toulouse, France

2. Computational Science Division, Argonne National Laboratory, Argonne, Illinois 60439, United States

3. Department of Chemistry, University of Pittsburgh, Pittsburgh, Pennsylvania 15260, United States

4. Laboratoire de Chimie Théorique, Sorbonne Université, CNRS, Paris, France

5. Institut des Sciences du Calcul et des Données, Sorbonne Université, F-75005 Paris, France

6. CALMIP, Université de Toulouse, CNRS, INPT, INSA, UPS, UMS 3667, Toulouse, France

7. Aix-Marseille Univ, CNRS, ICR, Marseille, France

Funder

Division of Chemistry

Centre National de la Recherche Scientifique

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Reference155 articles.

1. Lists | TOP500 Supercomputer Sites. 2018; https://www.top500.org/lists/1993/11, [Online; accessed 9. Oct. 2018].

2. Software and the Concurrency Revolution

3. Hitting the memory wall

4. Science and research policy at the end of Moore’s law

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