Formulation of Multicomponent Lattice Gas Model Cluster Expansions Parameterized on Ab Initio Data: An Introduction to the Ab Initio Mean-Field Augmented Lattice Gas Modeling Code
Author:
Affiliation:
1. Department of Physics, University of Sydney, Sydney, NSW 2006, Australia
2. Institute for Integrated Catalysis, Pacific Northwest National Laboratory, Richland, Washington 99352, United States
Funder
Basic Energy Sciences
Division of Graduate Education
Achievement Rewards for College Scientists Foundation
Office of International Science and Engineering
Publisher
American Chemical Society (ACS)
Subject
Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.9b05814
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