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A predictive machine learning force field framework for liquid electrolyte development

  • A predictive machine learning force field framework for liquid electrolyte development.
  • Introducing BAMBOO (ByteDance AI Molecular Simulation Booster), a predictive framework for molecular dynamics (MD) simulations for liquid electrolyte in lithium batteries.
  • Utilizes a physics-inspired graph equivariant transformer architecture to learn from quantum mechanical simulations.
  • Demonstrates state-of-the-art accuracy in predicting key electrolyte properties such as density, viscosity, and ionic conductivity.

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