Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems

Author:

Tancogne-Dejean Nicolas1ORCID,Oliveira Micael J. T.1ORCID,Andrade Xavier2,Appel Heiko1,Borca Carlos H.23ORCID,Le Breton Guillaume4,Buchholz Florian1,Castro Alberto56ORCID,Corni Stefano78,Correa Alfredo A.2,De Giovannini Umberto1,Delgado Alain9,Eich Florian G.1,Flick Johannes1011,Gil Gabriel712,Gomez Adrián5ORCID,Helbig Nicole13,Hübener Hannes1,Jestädt René1,Jornet-Somoza Joaquim1,Larsen Ask H.14ORCID,Lebedeva Irina V.14,Lüders Martin1,Marques Miguel A. L.15ORCID,Ohlmann Sebastian T.16,Pipolo Silvio17,Rampp Markus16ORCID,Rozzi Carlo A.8ORCID,Strubbe David A.18,Sato Shunsuke A.119,Schäfer Christian1ORCID,Theophilou Iris1ORCID,Welden Alicia2,Rubio Angel11114ORCID

Affiliation:

1. Max Planck Institute for the Structure and Dynamics of Matter, Luruper Chaussee 149, D-22761 Hamburg, Germany

2. Quantum Simulations Group, Lawrence Livermore National Laboratory, Livermore, California 94551, USA

3. School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia 30332, USA

4. Département de Physique, École Normale Supérieure de Lyon, 46 Allée d’Italie, Lyon Cedex 07, France

5. Institute for Biocomputation and Physics of Complex Systems, University of Zaragoza, Calle Mariano Esquillor, 50018 Zaragoza, Spain

6. ARAID Foundation, Avda. de Ranillas 1-D, 50018 Zaragoza, Spain

7. Dipartimento di Scienze Chimiche, Università degli studi di Padova, via F. Marzolo 1, 35131 Padova, Italy

8. CNR – Istituto Nanoscienze, via Campi 213a, 41125 Modena, Italy

9. Xanadu, 777 Bay Street, Toronto, Ontario M5G 2C8, Canada

10. John A. Paulson School of Engineering and Applied Sciences, Harvard University, Cambridge, Massachusetts 02138, USA

11. Center for Computational Quantum Physics, Flatiron Institute, 162 5th Avenue, New York, New York 10010, USA

12. Instituto de Cibernética, Matemática y Física, Calle E 309, 10400 La Habana, Cuba

13. Nanomat/Qmat/CESAM and ETSF, Université de Liège, B-4000 Sart-Tilman, Belgium

14. Nano-Bio Spectroscopy Group and ETSF, Universidad del País Vasco, 20018 San Sebastián, Spain

15. Institut für Physik, Martin-Luther-Universität Halle-Wittenberg, 06120 Halle (Saale), Germany

16. Max Planck Computing and Data Facility, Gießenbachstraße 2, 85741 Garching, Germany

17. Université de Lille, CNRS, Centrale Lille, ENSCL, Université d’ Artois UMR 8181—UCCS Unité de Catalyse et Chimie du Solide, F-59000 Lille, France

18. Department of Physics, School of Natural Sciences, University of California, Merced, California 95343, USA

19. Center for Computational Sciences, University of Tsukuba, Tsukuba 305-8577, Japan

Funder

Deutsche Forschungsgemeinschaft

Simons Foundation

Horizon 2020 Framework Programme

FP7 Ideas: European Research Council

Euskal Herriko Unibertsitatea

Lawrence Livermore National Laboratory

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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