TY  - RPRT
TI  - CoeffNet : predicting activation barriers through a chemically-interpretable, equivariant and physically constrained graph neural network
AU  - Vijay, Sudarshan
AU  - Venetos, Maxwell C.
AU  - Spotte-Smith, Evan Walter Clark
AU  - Kaplan, Aaron D.
AU  - Wen, Mingjian
AU  - Persson, Kristin A.
PY  - 2024
DO  - 10.1039/d3sc04411d
UR  - https://www.osti.gov/biblio/2282211
ID  - 2282211
ER  -