This repository presents the training datasets and the derived Moment Tensor Potential for the Zn unary system.

You are advised to cite the following paper if the dataset and/or the potential are used in your publications:

Haojie Mei, Luyao Cheng, Liang Chen, Feifei Wang, Jinfu Li, Lingti Kong. Development of machine learning interatomic potential for zinc. Computational Materials Science 233(30):112723, 2024. https://doi.org/10.1016/j.commatsci.2023.112723

The training dataset that can be used readily by the MLIP.

MTP potential: Zn.mtp

Feel free to drop a line if you have further concern:

Haojie Mei meihaojie@sjtu.edu.cn

Lingti Kong konglt@sjtu.edu.cn

Each file included in this repository is licensed under the CC BY License.