Semi-grand canonical Monte Carlo simulation of the acrolein induced surface segregation and aggregation of AgPd with machine learning surrogate models.

Autor: Liu, Mingjie1 (AUTHOR), Yang, Yilin1 (AUTHOR), Kitchin, John R.1 (AUTHOR) jkitchin@andrew.cmu.edu
Zdroj: Journal of Chemical Physics. 4/7/2021, Vol. 154 Issue 13, p1-11. 11p.
Databáze: Academic Search Ultimate