@misc{indiciae0d14774ab0fa, title = {Advancing density functional tight-binding method for large organic molecules through equivariant neural networks}, author = {Medrano Sandonas, Leonardo [Technische Universität Dresden (Germany)] (ORCID:0000000276733142) and Puleva, Mirela [University of Luxembourg, Luxembourg City, (Luxembourg); University of Luxembourg, Esch-sur-Alzette, (Luxembourg)] (ORCID:0000000198536775) and Erarslan, Zekiye [Technische Universität Dresden (Germany)] (ORCID:0000000255006202) and Parra Payano, Ricardo [Universidad Nacional de Ingeniería, Lima (Peru)] and Stöhr, Martin [University of Luxembourg, Luxembourg City, (Luxembourg); Stanford University, CA (United States); SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)] and Cuniberti, Gianaurelio [Technische Universität Dresden (Germany); RWTH Aachen University (Germany)] (ORCID:0000000265747848) and Tkatchenko, Alexandre [University of Luxembourg, Luxembourg City, (Luxembourg); University of Luxembourg, Esch-sur-Alzette, (Luxembourg)] (ORCID:0000000210124854)}, year = {2026}, doi = {10.1039/d6cp00038j}, url = {https://www.osti.gov/biblio/3023175}, note = {Source identifier: 3023175} }