U.S. flag

An official website of the United States government

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

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.

PROJECTS/PROGRAMS

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

Share

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.
Artificial intelligence and Materials
Created March 26, 2019, Updated March 27, 2019