Difference between revisions of "GAP theory"
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Miguel Caro (talk | contribs) (Created page with "Gaussian approximation potentials (GAPs) are machine learning based interatomic potentials introduced by Albert Bartók and collaborators in 2010<ref name="bartok_2010" />. <...") |
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<math>\bar{f}_* = \delta^2 \sum_t \alpha_t k(\textbf{d}_*, \textbf{d}_t) + f_0,</math> | <math>\bar{f}_* = \delta^2 \sum_t \alpha_t k(\textbf{d}_*, \textbf{d}_t) + f_0,</math> | ||
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{{Reference list}} | {{Reference list}} | ||
Latest revision as of 18:01, 19 July 2021
Gaussian approximation potentials (GAPs) are machine learning based interatomic potentials introduced by Albert Bartók and collaborators in 2010[1].
[math]\displaystyle{ \bar{f}_* = \delta^2 \sum_t \alpha_t k(\textbf{d}_*, \textbf{d}_t) + f_0, }[/math]
Reference list
- ↑ A.P. Bartók, M.C. Payne, R. Kondor, and G. Csányi. Gaussian approximation potentials: The accuracy of quantum mechanics, without the electrons. Phys. Rev. Lett. 104, 136403 (2010).
