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

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造成这种规模化应用水平较低的原因有两方面:一是前面讨论的智能体能力问题,虽然在快速进步,但离全面的实用性还有距离;二是各行各业的企业应用者要把智能体用好还需要一些自身条件的配合。

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