Comparison of permutationally invariant polynomials, neural networks, and Gaussian approximation potentials in representing water interactions through many-body expansions

2018 | journal article. A publication with affiliation to the University of Göttingen.

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​Nguyen, Thuong T., et al. "Comparison of permutationally invariant polynomials, neural networks, and Gaussian approximation potentials in representing water interactions through many-body expansions​." ​The Journal of Chemical Physics, vol. 148, no. 24, ​2018, p. 241725​, ​doi: 10.1063/1.5024577. 

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Authors
Nguyen, Thuong T.; Székely, Eszter; Imbalzano, Giulio; Behler, Jörg ; Csányi, Gábor; Ceriotti, Michele; Götz, Andreas W.; Paesani, Francesco
Issue Date
2018
Journal
The Journal of Chemical Physics 
ISSN
0021-9606
eISSN
1089-7690
Language
English

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