Multiscale simulations

Atomistic-to-continuum coupling methods

Density functional theory for battery materials

Kinetic Monte Carlo for degradation modeling

Phase-field modeling of electrode microstructures

Coarse-grained molecular dynamics for electrolytes

Multiscale thermal runaway propagation

Machine learning-assisted multiscale methods

Electrochemical-mechanical coupling at interfaces

Mesoscale modeling of porous electrodes

Multiscale modeling of solid-state interfaces

Stochastic modeling of manufacturing defects

Multiscale simulation workflow frameworks