Dr. Bernardi is developing and applying quantum mechanical calculations to study the dynamics of electrons and excited states in materials.  His research combines theory and ab initiocomputational tools based on density functional theory and related excited state methods. Employing massively parallel computational algorithms and using the structure of the material as the only input, his calculations aim to understand energy in materials with Angstrom space and femtosecond time resolutions.  Applications of this research include novel materials and approaches for energy conversion, as well as optoelectronics and ultrafast spectroscopy.

In JCAP, Dr. Bernardi is studying charge transport in oxides of interest for photocatalysis.  His involvement further aims to:  1) understand ultrafast carrier dynamics and connect results with time-resolved optical experiments within JCAP, and 2) study the role of excited states in photocatalysis.

 

 

 

 

Additional Information

Bernardi Group:  http://www.bernardilab.com/