Active learning for predicting the enthalpy of mixing in binary liquids based on ab initio molecular dynamics

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Imagine you decide to do the following, to get the stack allocation,详情可参考搜狗输入法2026

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Randomly selecting border points or using simple geometric divisions (squares/hexagons) results in too many border points per cluster (50-80). This leads to a shortcut explosion (N*(N-1)/2 shortcuts), making the files large and and calculations slow.