TY  - RPRT
TI  - Advancing density functional tight-binding method for large organic molecules through equivariant neural networks
AU  - Medrano Sandonas, Leonardo [Technische Universität Dresden (Germany)] (ORCID:0000000276733142)
AU  - Puleva, Mirela [University of Luxembourg, Luxembourg City, (Luxembourg); University of Luxembourg, Esch-sur-Alzette, (Luxembourg)] (ORCID:0000000198536775)
AU  - Erarslan, Zekiye [Technische Universität Dresden (Germany)] (ORCID:0000000255006202)
AU  - Parra Payano, Ricardo [Universidad Nacional de Ingeniería, Lima (Peru)]
AU  - Stöhr, Martin [University of Luxembourg, Luxembourg City, (Luxembourg); Stanford University, CA (United States); SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)]
AU  - Cuniberti, Gianaurelio [Technische Universität Dresden (Germany); RWTH Aachen University (Germany)] (ORCID:0000000265747848)
AU  - Tkatchenko, Alexandre [University of Luxembourg, Luxembourg City, (Luxembourg); University of Luxembourg, Esch-sur-Alzette, (Luxembourg)] (ORCID:0000000210124854)
PY  - 2026
DO  - 10.1039/d6cp00038j
UR  - https://www.osti.gov/biblio/3023175
ID  - 3023175
ER  -