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Differentiable Simulations for Enhanced Sampling of Rare Events

Differentiable Simulations for Enhanced Sampling of Rare Events

Valence Labs via YouTube Direct link

- The Challenge of MD Simulation of Chemical Reactions

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- The Challenge of MD Simulation of Chemical Reactions

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Differentiable Simulations for Enhanced Sampling of Rare Events

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  1. 1 - Intro
  2. 2 - Differentiable Simulations
  3. 3 - The Challenge of MD Simulation of Chemical Reactions
  4. 4 - Biased Langevin Dynamics
  5. 5 - 2D Case: Training
  6. 6 - Concave Surfaces
  7. 7 - Future Outlooks
  8. 8 - Q+A

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