Kassal Group

Quantum dynamics and quantum computing for complex chemical systems

Our Research

We develop new theoretical tools for simulating the dynamics of light, energy, and charge in disordered and dissipative materials, with the aim of developing design principles for improving solar energy conversion.

We design algorithms for simulating chemical dynamics on quantum computers, in order to allow next-generation quantum technologies to simulate chemical processes that are intractable using modern supercomputers.

Organic and disordered electronics

Organic semiconductors promise clean solar energy and lightweight electronic devices, and we are unravelling how they work and how to improve them. We have shown that delocalisation of charges and excitons can dramatically improve mobilities, charge generation, and device performance.

Coherence in light harvesting

We aim to understand how solar energy conversion can be improved by coherence, whether of excitons, photons, or vibrations. We have shown that quantum effects play a role in photosynthetic complexes and that coherence in light-matter interactions can be engineered to improve light-harvesting efficiencies.

Quantum computing for chemistry

Simulating quantum chemistry is difficult for ordinary computers, so we have developed and implemented algorithms to simulate chemistry on quantum computers, including the most advanced analog quantum simulation of chemical dynamics.


Feb 2023

Welcome Hayden, who joins us for an undergraduate research project

Feb 2023

Welcome to Tom and Liam, who join us for their Honours projects

Jan 2023

Welcome to Neil and Simon, who join us for their summer research projects

Dec 2022

Welcome to Elliot, who joins us for a postdoc on quantum simulation

Dec 2022

Goodbye to Ryan, who leaves us to start as an assistant professor at Dalhousie

Dec 2022

Congrats to Vanessa for winning the poster prize at the EQUS Annual Workshop for her work on simulating geometric phases on quantum computers

Dec 2022

Congrats to Dev for completing his degree with first-class Honours