Skip to main content
U.S. flag

An official website of the United States government

Dot gov

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Https

Secure .gov websites use HTTPS
A lock ( ) or https:// means you've safely connected to the .gov website. Share sensitive information only on official, secure websites.

Teaching Liquid State Theory to an Artificial Neural Network (ANN)

Description

Schematic of the ANN method
Credit: Tyler Martin

 

Scientific questions:

  • Can an ANN allow us to predict the structure of fluids that are impossible to predict numerically via liquid-state theory?
  • Can we learn something about liquid-state theory itself by the nature of the trained ANN?
    • What features do the hidden layers capture?
  • Can experimental scattering data be used in the training of the ANN?
    • How does the mixing of synthetic and experimental data affect predictions?
  • Can we use the trained ANN to create a new liquid-state closure?
    • Closure approximations account for the majority of error in liquid state theory.
Created March 26, 2019, Updated March 27, 2019