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Research on Cu-Sn machine learning interatomic potential with active learning strategy

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Mendeley Data2026-04-09 收录
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资源简介:

The uploaded files include the initial training set of the CuSn potential function (in the init_data folder) as well as the data added to the training set during the training process (in the training_data folder). The file frozen_model.pb is the potential function obtained from training, used for molecular dynamics simulations with the DeepMD version.

上传文件包含铜锡(CuSn)势函数的初始训练集(存放于init_data文件夹),以及训练过程中追加至训练集的补充数据(存放于training_data文件夹)。文件frozen_model.pb为训练得到的势函数,可配合DeepMD版本开展分子动力学模拟。

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