Wujie's paper on Coarse-Graining Autoencoders published at NPJ Computational Materials

December 18, 2019

Wuejie's first-author paper on the use of unsupervised and semi-supervised VAEs to learn optimal coarse-grained representations _and_ neural network interatomic potentials _at the same time_ is now published. There is an acompanying repo for anyone interested in playing with the toolset.