The discovery and design of materials for quantum information applications is a key requirement to unleash the full potential of quantum information science.

This project, funded by AFOSR,  aims at building a theoretical and computational framework tightly integrated with experiments to predict, with rapid turn-around, quantum-coherent properties of materials. The predictions will be validated by experiments whose results will in turn be interpreted theoretically.

We focus on the design of atomic defects in wide-band-gap semiconductors exhibiting optical and coherence properties appropriate for engineering qubits

A Three-Step Strategy

Identify Promising Defects

We focus on SiC and AlN  and compute  multiple properties of spin defects at a high, predictive level of first-principles theory, and at the same time we devise  experimental validation procedures.

Understand and Improve Coherence Properties

For promising candidate systems, coherence properties of spin defects are predicted and measured,  with the goal of defining an integrated strategy to improve coherence times.

Materials Design and Optimization

We are defining procedures to extract descriptors from integrated experiments and calculations to be used for materials optimization and design




Explore the codes developed within MICCoM and used in this project. The Midwest Integrated Center for Computational Materials (MICCoM) develops and disseminates interoperable open source software, data and validation procedures, enabling the community to predict...

Chicago Quantum Exchange

Chicago Quantum Exchange

Explore the activities of the Chicago Quantum Exchange. The Chicago Quantum Exchange (CQE) is an intellectual hub and community of researchers with the common goal of advancing academic and industrial efforts in the science and engineering of quantum information...