Computational nanomaterials design and simulation. Current areas of interest include:
- Two-dimensional materials (graphene, silicatene, etc.) for gas separation
- Organic Redox Flow Battery materials
- Applications of machine learning to inorganic synthesis ("Dark Reactions Project")
- Non-covalent interactions in organically-templated metal oxides and organo-halide perovskites.
- Google Scholar listing
Publications (via Google Scholar)