Proper orthogonal descriptors for efficient and accurate interatomic potentials.

Ngoc Cuong Nguyen Andrew Rohskopf

Published in: J. Comput. Phys. (2023)

Keyphrases

keypoints
computationally expensive
databases
high quality
high accuracy
computationally efficient
database
neural network
database systems
image retrieval
graph cuts
lightweight
rotationally invariant