Radial distribution function for liquid gallium from experimental structure factor: a Hopfield neural network approach.
J Mol Model
; 26(8): 193, 2020 Jul 03.
Article
en En
| MEDLINE
| ID: mdl-32621244
ABSTRACT
Hopfield neural network was used to retrieve liquid gallium radial distribution function from an experimental structure factor, obtained at 959 K. The inversion framework was carried out under two initial conditions (a) a constant radial distribution function corresponding to an ideal gas and (b) a step function, simulating a gas with square well potential of interaction. Both situations lead to accurate inverse results if compared with the radial distribution function obtained by Bellisent-Funel et al., using the Fourier transform method and Monte Carlo simulation. The Hopfield neural network has shown to be a powerful strategy to calculate the radial distribution function from experimental data.
Texto completo:
1
Colección:
01-internacional
Base de datos:
MEDLINE
Idioma:
En
Revista:
J Mol Model
Asunto de la revista:
BIOLOGIA MOLECULAR
Año:
2020
Tipo del documento:
Article
País de afiliación:
Brasil