We develop and apply computational methods based on quantum mechanics to understand, design and discover materials for electronics and energy applications.
Currently, we focus on the electrons in/on materials.
On the physics side, we study the electron transport. By investigating the electron-phonon, electron-electron, and electron-defect interactions, we can compute the transport properties such as mobility and saturation velocity. These studies can help improve electronic and optoelectronic devices.
On the chemistry side, we study the electrochemical reactions for energy conversion and storage, such as water splitting, O2/CO2/N2 reduction, batteries and supercapacitors.
We have been studying 2D materials extensively.
We also have experience and interest in other topics, such as crystal growth, defects and thermo-catalysis, and are open to collaborations and new opportunities.