Newton-X Platform: New Software Developments for Surface Hopping and Nuclear Ensembles

Author:

Barbatti Mario12ORCID,Bondanza Mattia3,Crespo-Otero Rachel4ORCID,Demoulin Baptiste1,Dral Pavlo O.5ORCID,Granucci Giovanni3ORCID,Kossoski Fábris6ORCID,Lischka Hans7ORCID,Mennucci Benedetta3ORCID,Mukherjee Saikat1ORCID,Pederzoli Marek8,Persico Maurizio3ORCID,Pinheiro Jr Max1,Pittner Jiří8,Plasser Felix9ORCID,Sangiogo Gil Eduarda3,Stojanovic Ljiljana10ORCID

Affiliation:

1. Aix Marseille University, CNRS, ICR, 13013Marseille, France

2. Institut Universitaire de France, 75231Paris, France

3. Dipartimento di Chimica e Chimica Industriale, Università di Pisa, via Moruzzi 13, 56124Pisa, Italy

4. Department of Chemistry, Queen Mary University of London, Mile End Road, E1 4NSLondon, U.K.

5. State Key Laboratory of Physical Chemistry of Solid Surfaces, Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Department of Chemistry, and College of Chemistry and Chemical Engineering, Xiamen University, 361005Xiamen, China

6. Laboratoire de Chimie et Physique Quantiques (UMR 5626), Université de Toulouse, CNRS, UPS, 31000Toulouse, France

7. Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas79409, United States

8. J. Heyrovsky Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, v.v.i., Dolejškova 3, 18223Prague 8, Czech Republic

9. Department of Chemistry, Loughborough University, LE11 3TULoughborough, U.K.

10. Department of Physics and Astronomy, University College London, Gower Street, WC1E 6BTLondon, U.K.

Funder

Engineering and Physical Sciences Research Council

Agence Nationale de la Recherche

Leverhulme Trust

State Key Laboratory of Physical Chemistry of Solid Surfaces, Xiamen University

Grantov? Agentura Cesk? Republiky

Central University Basic Research Fund of China

Aix-Marseille Universit?

National Natural Science Foundation of China

Universit? di Pisa

H2020 European Research Council

Centre de Calcul Intensif d?Aix-Marseille

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

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