REU Project ID 4.2

Theory and computation of quantum materials

Prof. Jeff Neaton

Using density functional theory and related methods, and working closely with experimental groups, we will explore the structure, photophysics, transport properties of novel quantum materials as a function of dimensionality in the context of renewable energy, microelectronics, and quantum information applications.

We will use state of the art software, massively parallel computers, and simple models to predict and understand key properties and observables.