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Getting Started
1. Using DeePMD-Kit
2. Using DP-GEN
Case Studies
1. Practical-Guidelines-for-DP
2. Convergence-Test
3. Gas-Phase
3.1. Simulation of the oxidation of methane
4. Mg-Y_alloy
5. Transfer-learning
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1. Learning Resources
2. Writing Tips
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DeepModeling Tutorial
3.
Gas-Phase
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3.
Gas-Phase
Methane
3.1. Simulation of the oxidation of methane
3.1.1. Step 1: Preparing the reference dataset
3.1.2. Step 2. Training the Deep Potential (DP)
3.1.3. Step 3: Freeze the model
3.1.4. Step 4: Running MD simulation based on the DP
3.1.5. Step 5: Analysis of the trajectory
3.1.6. Acknowledge
3.1.7. References
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