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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​Gastegger, Michael, Jörg Behler, and Philipp Marquetand. "Machine learning molecular dynamics for the simulation of infrared spectra​." ​Chemical Science, vol. 8, no. 10, ​2017, pp. 6924​-6935​, ​doi: 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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