Category:
Catalysis
,
Working Paper
, Title:
Fast Evaluation of the Adsorption Energy of Organic Molecules on Metals via Graph Neural Networks
, Authors:
Sergio Pablo-García, Santiago Morandi, Rodrigo Alejandro Vargas-Hernández, Kjell Jorner, Núria López, Alán Aspuru-Guzik
Version 1 posted 06 October 2022
639
Downloads