Year: 2017
Type: article
Abstract: Artificial neural networks are combined with molecular dynamics to simulate molecular infrared spectra including anharmonicities and temperature effects.
Source: Chemical Science
DOI: 10.1039/c7sc02267k
Authors: Michael Gastegger, Jörg Behler, Philipp Marquetand
Institutions: University of Vienna, University of Göttingen
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: diamond
Funder: Deutsche Forschungsgemeinschaft
Award: G6950763517
OpenAlex ID: W2614157797