A universal graph deep learning interatomic potential for the periodic table.

Chi Chen Shyue Ping Ong

Published in: Nat. Comput. Sci. (2022)

Keyphrases

deep learning
unsupervised learning
machine learning
deep architectures
unsupervised feature learning
graph structure
weakly supervised
restricted boltzmann machine
training data
mental models
computer vision
decision trees
higher order