Gaussian Approximation Potential for C-doped Boron Nitride
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下载链接：
https://zenodo.org/record/7500738
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资源简介：
This is an GAP potential for amorphous boron nitride samples. It is trained based on datasets generated with ab-initio molecular dynamics and DFT. It can be used with pair_style quip command.
创建时间：
2023-01-03
