Postdoctoral Fellowship at the University of Toronto in Quantum-Inspired Computational Materials Discovery


Our research group at UofT seeks to advance the physics and chemistry of catalysis materials, and to apply this knowledge to address key challenges in sustainable energy. Our group culture fosters win-win teamwork; communication that clarifies and finds connections and new scientific avenues; and that strives for excellence.


We are recruiting post-doctoral fellows who are close to receiving, or have received, their PhD degree in an area of science or engineering with the experience below. The PDF will closely work with other post-docs and PhD students, as well as industrial partners (including through the Fujitsu Co-Creation Research Laboratory: ) to develop advanced methods to accelerate materials discovery. Specifically, they will explore the application of quantum-inspired digital annealer technology to improve ammonia synthesis catalysts.


  • Applicants must have received, or be close to receiving, their PhD degree in an area of science or engineering, including computer science and computer engineering;
  • Applicants are sought who have backgrounds in a field of engineering or science relevant to computer science and computational thermo/electro-catalysis, including:
    • Expertise in quantum computing algorithms including quantum /digital annealing is a must.
    • Expertise with machine learning methods is a must.
    • Experience in performing quantum chemistry calculations using software packages such as VASP a must.
    • Experience in building and running large scale calculations using GPU and CPU clusters will be an added advantage.
    • Experience in microkinetic modeling in thermocatalysis/electrocatalysis will be an added advantage.
    • Successful candidates are expected to publish first-authored papers in high-impact journals and cultivate their mentoring skills by devoting a portion of their time to advising graduate students in the group and the development of new research directions.

Applications should be sent by August 20, 2023, to Yuxin Chang ( at the University of Toronto. Please list 2 referees who have confirmed that they are willing to supply letters of reference upon request.