Fig. 6: Comparison of structure prediction for carbon polymorphs with an empirical potential model52. | npj Computational Materials

Fig. 6: Comparison of structure prediction for carbon polymorphs with an empirical potential model52.

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

Fig. 6

a Best Convergence of MCTS, GA, and random sampling out of four independent trials. b Mean the best solution obtained for MCTS, GA and random sampling. c Typical energy distribution of the sampled configuration during an independent run for MCTS and GA optimizer and their overall uniqueness. d Average iteration factor for convergence for different optimizer algorithms used.

Back to article page