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DeepModeling Tutorial
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Getting Started
1. Using DeePMD-Kit
2. Using DP-GEN
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1. Practical-Guidelines-for-DP
2. Gas-Phase
2.1. Simulation of the oxidation of methane
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2.
Gas-Phase
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2.
Gas-Phase
Methane
2.1. Simulation of the oxidation of methane
2.1.1. Step 1: Preparing the reference dataset
2.1.2. Step 2. Training the Deep Potential (DP)
2.1.3. Step 3: Freeze the model
2.1.4. Step 4: Running MD simulation based on the DP
2.1.5. Step 5: Analysis of the trajectory
2.1.6. Acknowledge
2.1.7. References
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