dxtb —An efficient and fully differentiable framework for extended tight-binding
Year: 2024
Type: article
Source: The Journal of Chemical Physics
DOI: 10.1063/5.0216715
Institutions: University of Bonn, Microsoft (Netherlands)
Language: English
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: closed
Funder: Deutsche Forschungsgemeinschaft
OpenAlex ID: W4401463809