Nature Communications (Oct 2020)

Learning molecular dynamics with simple language model built upon long short-term memory neural network

  • Sun-Ting Tsai,
  • En-Jui Kuo,
  • Pratyush Tiwary

DOI
https://doi.org/10.1038/s41467-020-18959-8
Journal volume & issue
Vol. 11, no. 1
pp. 1 – 11

Abstract

Read online

Artificial neural networks have been successfully used for language recognition. Tsai et al. use the same techniques to link between language processing and prediction of molecular trajectories and show capability to predict complex thermodynamics and kinetics arising in chemical or biological physics.