Fig. 8: Convergence with size-dependent diversity in nanoclusters of Gold (Au). | npj Computational Materials

Fig. 8: Convergence with size-dependent diversity in nanoclusters of Gold (Au).

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

Fig. 8

a The convergence of MCTS optimizer for the sampling of gold (Au) nanoclusters of different sizes (13, 20, and 40 atoms). b It shows the global minima obtained by MCTS for each case. c Comparison of the global minima obtained by MCTS to that of known Sutton-Chen global minima70 in terms of pairwise distance between the atoms for 13, 20, and 40 atoms respectively.

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