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.