Machine learning molecular dynamics for the simulation of infrared spectra

2017 | journal article. A publication with affiliation to the University of Göttingen.

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​Machine learning molecular dynamics for the simulation of infrared spectra​
Gastegger, M.; Behler, J.   & Marquetand, P.​ (2017) 
Chemical Science, 8(10) pp. 6924​-6935​.​ DOI: https://doi.org/10.1039/C7SC02267K 

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Authors
Gastegger, Michael; Behler, Jörg ; Marquetand, Philipp
Issue Date
2017
Journal
Chemical Science 
ISSN
2041-6520
eISSN
2041-6539
Language
English

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