NEXMD Software Package for Nonadiabatic Excited State Molecular Dynamics Simulations

Author:

Malone Walter12ORCID,Nebgen Benjamin1,White Alexander1,Zhang Yu1ORCID,Song Huajing1ORCID,Bjorgaard Josiah A.1ORCID,Sifain Andrew E.3ORCID,Rodriguez-Hernandez Beatriz4,Freixas Victor M.4ORCID,Fernandez-Alberti Sebastian4ORCID,Roitberg Adrian E.5ORCID,Nelson Tammie R.16ORCID,Tretiak Sergei1ORCID

Affiliation:

1. Physics and Chemistry of Materials, Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States

2. Center for Nonlinear Studies, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States

3. U.S. Army Research Laboratory, Aberdeen Proving Ground, Aberdeen, Maryland 21005, United States

4. Universidad Nacional de Quilmes/CONICET, Roque Saenz Peña 352, B1876BXD Bernal, Argentina

5. Department of Chemistry, University of Florida, Gainesville, Florida 32611, United States

6. Center for Integrated Nanotechnologies, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States

Funder

Consejo Nacional de Investigaciones Cient?ficas y T?cnicas

Agencia Nacional de Promoci?n Cient?fica y Tecnol?gica

Universidad Nacional de Quilmes

Laboratory Directed Research and Development

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

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