Fig. 10: Comparison of the performance of CASTING with commonly used optimizers in crystal structure prediction. | npj Computational Materials

Fig. 10: Comparison of the performance of CASTING with commonly used optimizers in crystal structure prediction.

From: A Continuous Action Space Tree search for INverse desiGn (CASTING) framework for materials discovery

Fig. 10

a Average performance and standard deviation comparison (based on ten independent trials) between the MCTS optimizer, GA, and Random search for predicting Hexagonal Boron Nitride (h-BN). b Average performance and standard deviation comparison (based on ten independent trials) between the MCTS optimizer, Basin hopping, and Random search for predicting a nanocluster of Au (13 atoms).

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