Cluster-MLP: An Active Learning Genetic Algorithm Framework for Accelerated Discovery of Global Minimum Configurations of Pure and Alloyed Nanoclusters

Published in Journal of Chemical Information and Modeling, 2023

Recommended citation: Rajesh K. Raju, Saurabh Sivakumar, Xiaoxiao Wang, and Zachary W. Ulissi.Journal of Chemical Information and Modeling