Open AccessSemi-grand canonical Monte Carlo simulation of the acrolein induced surface segregation and aggregation of AgPd with machine learning surrogate models
Author(s) -
Mingjie Liu,
Yilin Yang,
John R. Kitchin
Publication year - 2021
Publication title -
journal of chemical physics online/the journal of chemical physics/journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/5.0046440
Subject(s) - acrolein , chemistry , monte carlo method , adsorption , desorption , chemical physics , catalysis , organic chemistry , statistics , mathematics