Computational design of battery materials

Molecular design of microemulsion extraction system to improve the production of rare earth metals and co-production of critical minerals and materials from coal-based resources

Characterization and design of new cathode catalysts for PEM fuel cells using multi-scale de novo modeling

Advanced highly efficient fuel cells based on designer catalysts

Fundamental chemistry and physics of direct electrochemical oxidation in SOFCs

Hydrated polymer electrolyte/cathode interface: simulations of the cathode half-cell

Perovskite-based proton-conducting electrolytes

CFx materials for applications in Li-ion and F-ion batteries

Low-temperature membranes for hydroxide exchange membrane fuel cells: first-principles based computational study

Investigation of polymer electrolyte membrane degradation, using computational modeling

Quantum-chemical and thermodynamic studies of Pt and Pt-based alloy thin film electrocatalysts

Nanoporous platinum - atomistic structure and catalytic properties via computational simulations

Computational study of low-temperature catalytic C-C bond activation of alkanes for portable power

Development of advanced anode catalysts for SOFCs: first-principles based computational study

Simulation/Design/Synthesis of nanocomposites for CO₂ capture and conversion at elevated temperature

Reversible metal-air batteries: in silico based design combined with experimental synthesis and characterization

In silico design of advanced materials for high-energy density electrochemical devices