Professor Spencer’s group works in the area of computational materials chemistry and physics.

The group’s research used quantum mechanical based simulations, primarily density functional theory calculations and ab initio molecular dynamics simulations to predict and design new materials for a variety of applications, including batteries, sensors, catalysts, electronic devices and sustainable technologies.

The focus is on predicting the surface reactions and structural, electronic, piezoelectric and optoelectronic properties of nanomaterials, 2D heterostructures, liquid metals, high entropy oxides and other materials.

Piezoelectricity

Batteries

2D Heterostructures

Gas sensors