Examples

Tutorials

• Tutorial: Installation
  • Install ReacNetGenerator
• Tutorial: Analysis

Case Studies

• Simulation of the oxidation of methane
  • Step 1: Preparing the reference dataset
  • Step 2. Training the Deep Potential (DP)
  • Step 3: Freeze the model
  • Step 4: Running MD simulation based on the DP
  • Step 5: Analysis of the trajectory
  • Acknowledge
• The thermal decomposition of CL-20 (C₆H₆N₁₂O₁₂)
  • DP-GEN workflow
  • Analysis by ReacNetGenerator

Publications

• Publications driven by ReacNetGenerator