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47 Commitshttps://github.com/OutisLi/deepmd_learn/commits/main/
https://github.com/OutisLi/deepmd_learn/commits/main/
0_Abacus_Examplehttps://github.com/OutisLi/deepmd_learn/tree/main/0_Abacus_Example
0_Abacus_Examplehttps://github.com/OutisLi/deepmd_learn/tree/main/0_Abacus_Example
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0. 密度泛函理论 (DFT) 计算原理与流程.mdhttps://github.com/OutisLi/deepmd_learn/blob/main/0.%20%E5%AF%86%E5%BA%A6%E6%B3%9B%E5%87%BD%E7%90%86%E8%AE%BA%20(DFT)%20%E8%AE%A1%E7%AE%97%E5%8E%9F%E7%90%86%E4%B8%8E%E6%B5%81%E7%A8%8B.md
0. 密度泛函理论 (DFT) 计算原理与流程.mdhttps://github.com/OutisLi/deepmd_learn/blob/main/0.%20%E5%AF%86%E5%BA%A6%E6%B3%9B%E5%87%BD%E7%90%86%E8%AE%BA%20(DFT)%20%E8%AE%A1%E7%AE%97%E5%8E%9F%E7%90%86%E4%B8%8E%E6%B5%81%E7%A8%8B.md
1. 从 DFT 到 MD.ipynbhttps://github.com/OutisLi/deepmd_learn/blob/main/1.%20%E4%BB%8E%20DFT%20%E5%88%B0%20MD.ipynb
1. 从 DFT 到 MD.ipynbhttps://github.com/OutisLi/deepmd_learn/blob/main/1.%20%E4%BB%8E%20DFT%20%E5%88%B0%20MD.ipynb
2. DPA2上机实战.ipynbhttps://github.com/OutisLi/deepmd_learn/blob/main/2.%20DPA2%E4%B8%8A%E6%9C%BA%E5%AE%9E%E6%88%98.ipynb
2. DPA2上机实战.ipynbhttps://github.com/OutisLi/deepmd_learn/blob/main/2.%20DPA2%E4%B8%8A%E6%9C%BA%E5%AE%9E%E6%88%98.ipynb
3. AI4S时代玩转分子动力学.ipynbhttps://github.com/OutisLi/deepmd_learn/blob/main/3.%20AI4S%E6%97%B6%E4%BB%A3%E7%8E%A9%E8%BD%AC%E5%88%86%E5%AD%90%E5%8A%A8%E5%8A%9B%E5%AD%A6.ipynb
3. AI4S时代玩转分子动力学.ipynbhttps://github.com/OutisLi/deepmd_learn/blob/main/3.%20AI4S%E6%97%B6%E4%BB%A3%E7%8E%A9%E8%BD%AC%E5%88%86%E5%AD%90%E5%8A%A8%E5%8A%9B%E5%AD%A6.ipynb
4.1 快速开始 ASE｜氮气分子在铜表面的吸附.ipynbhttps://github.com/OutisLi/deepmd_learn/blob/main/4.1%20%E5%BF%AB%E9%80%9F%E5%BC%80%E5%A7%8B%20ASE%EF%BD%9C%E6%B0%AE%E6%B0%94%E5%88%86%E5%AD%90%E5%9C%A8%E9%93%9C%E8%A1%A8%E9%9D%A2%E7%9A%84%E5%90%B8%E9%99%84.ipynb
4.1 快速开始 ASE｜氮气分子在铜表面的吸附.ipynbhttps://github.com/OutisLi/deepmd_learn/blob/main/4.1%20%E5%BF%AB%E9%80%9F%E5%BC%80%E5%A7%8B%20ASE%EF%BD%9C%E6%B0%AE%E6%B0%94%E5%88%86%E5%AD%90%E5%9C%A8%E9%93%9C%E8%A1%A8%E9%9D%A2%E7%9A%84%E5%90%B8%E9%99%84.ipynb
4.2 ASE 从入门到精通 第一章.ipynbhttps://github.com/OutisLi/deepmd_learn/blob/main/4.2%20ASE%20%E4%BB%8E%E5%85%A5%E9%97%A8%E5%88%B0%E7%B2%BE%E9%80%9A%20%E7%AC%AC%E4%B8%80%E7%AB%A0.ipynb
4.2 ASE 从入门到精通 第一章.ipynbhttps://github.com/OutisLi/deepmd_learn/blob/main/4.2%20ASE%20%E4%BB%8E%E5%85%A5%E9%97%A8%E5%88%B0%E7%B2%BE%E9%80%9A%20%E7%AC%AC%E4%B8%80%E7%AB%A0.ipynb
4.3 ASE-ABACUS | 第一章：使用方法简介.ipynbhttps://github.com/OutisLi/deepmd_learn/blob/main/4.3%20ASE-ABACUS%20%7C%20%E7%AC%AC%E4%B8%80%E7%AB%A0%EF%BC%9A%E4%BD%BF%E7%94%A8%E6%96%B9%E6%B3%95%E7%AE%80%E4%BB%8B.ipynb
4.3 ASE-ABACUS | 第一章：使用方法简介.ipynbhttps://github.com/OutisLi/deepmd_learn/blob/main/4.3%20ASE-ABACUS%20%7C%20%E7%AC%AC%E4%B8%80%E7%AB%A0%EF%BC%9A%E4%BD%BF%E7%94%A8%E6%96%B9%E6%B3%95%E7%AE%80%E4%BB%8B.ipynb
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