FUNctional MAterials DEsign LAB

• Theoretical and Computational Chemistry

• Organic Magnetic Materials

• Catalysts (Metal oxides, Zeolites, Carbon materials, etc.)

• Photocatalysts (Metal oxides, Microporous organic polymers, etc.), 

• Understanding the origins of physical properties for diverse functional materials at the atomic scale

Computational Tools

• Scientific packages:  Gaussian16, FHI-aims, DFTB+, Orca, Q-Chem