Determination of thermodynamic state variables of liquids from their microscopic structures using an artificial neural network

In this work we implement a machine learning method to predict the thermodynamic state of a liquid using only its microscopic structure provided by the radial distribution function (RDF). The main goal is to determine the equation of state of the system. The goal is achieved by predicting the densit...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Soft matter 2021-02, Vol.17 (7), p.1975-1984
Hauptverfasser:	Que-Salinas, Ulices, Ramírez-González, Pedro E, Torres-Carbajal, Alexis
Format:	Artikel
Sprache:	eng
Schlagworte:	Artificial neural networks Coexistence Distribution functions Equations of state Learning algorithms Learning theory Liquid phases Liquids Machine learning Neural networks Predictions Radial distribution Reference systems State variable
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!