Pauling's rules guided Monte Carlo search (PAMCARS): A shortcut of predicting inorganic crystal structures

Yang Zhong, Zhenpeng Hu, Tongqing Sun, Weiwei Wang, Yongfa Kong, Jingjun Xu. Pauling's rules guided Monte Carlo search (PAMCARS): A shortcut of predicting inorganic crystal structures. Computer Physics Communications, 256:107486, 2020. [doi]

Abstract

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