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20232026
most citedGlobal optimization in the discrete and variable-dimension conformational space: The case of crystal with the strongest atomic cohesion

11 citations · 11 across the 3 of their papers we have counts for

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cond-mat.mtrl-sci2023★ 11 cited

Global optimization in the discrete and variable-dimension conformational space: The case of crystal with the strongest atomic cohesion

Guanjian Cheng, Xin-Gao Gong, Wan-Jian Yin

We introduce a computational method to optimize target physical properties in the full configuration space regarding atomic composition, chemical stoichiometry, and crystal structu…