Our research is centered around the observation that microstructures can have drastic effects on a material’s physical properties. In our approach, we develop mathematical models (phase-field, molecular dynamics, first-principle methods) to understand and predict how fundamental material constants and microstructures affect material properties. We use these insights to guide the discovery of materials (e.g., battery electrodes, soft magnets, molecular crystals, shape-memory alloys) with enhanced properties.


Dr. Ananya Renuka Balakrishna

Modeling Finite Deformations in Alloying Electrodes — A Closer Look at Cracks and Pores During Phase Transformation
Zhang D, Lai Y, Thurber K, Smith K, Weker JN, Tolbert S, Balakrishna AR.
arXiv:2506.19982
PDF DOI

Lattice Compatibility and Energy Barriers in Intercalation Compounds
Zhang D, Balakrishna AR.
arXiv:2505.22628
PDF DOI