Materials Intelligence Research

The Materials Intelligence Research (MIR) group at Harvard University is working to:

Deep equivariant neural networks, Bayesian force fields, active learning, exascale reactive MD

Solid-state, ionic liquid, polymer electrolytes, correlated transport

Dynamics of nanoparticles, surface restructuring,  heterogeneous reactions, 2D materials

Electrical conductivity, thermoelectric and magneto-transport properties.

Machine learning for development of fast and accurate density functionals

Open-source computational tools and frameworks