Mapping diverse structures of liquid water and ice using variational autoencoders: A vector quantization approach to discover structural motifs in model latent spaces

Yifei Yue, Lechun Xing, Saad Aldin Mohamed, Jiang Jianwen, N. Duane Loh

Submission Type: I want my submission to be considered for both oral and poster presentation.

Keywords: Water and Ice, Structural Motifs, Variational Autoencoders, Vector Quantization

TL;DR: We present a vector-quantization and variational autoencoder approach to map structural motifs of ice and water from molecular dynamics simulations.

Confirmation Of Submission Requirements: I submit an abstract. It uses the template provided on the submission page and is no longer than 2 pages.

Submission Number: 372