TY  - RPRT
TI  - High-Performance Semiempirical Excited-State Molecular Dynamics Powered by Graphics Processing Units
AU  - Athavale, Vishikh [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000205712336)
AU  - Kulichenko, Maksim [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000261943008)
AU  - Fernandez-Alberti, Sebastian [Universidad Nacional de Quilmes, Bernal (Argentina)] (ORCID:0000000209165069)
AU  - Niklasson, Anders Mauritz [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000318564982)
AU  - Tretiak, Sergei [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States). Center for Integrated Nanotechnologies (CINT)] (ORCID:0000000155473647)
PY  - 2026
DO  - 10.1021/acs.jpclett.5c04050
UR  - https://www.osti.gov/biblio/3377271
ID  - 3377271
ER  -