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, M., Behler, J. & Marquetand, P. (2017). ​Machine learning molecular dynamics for the simulation of infrared spectra. Chemical Science, 8(10), ​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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