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.


Nov 2023

Congrats to Vanessa for winning the Best Contribution to Public Discourse prize at the EQUS Annual Workshop

Nov 2023

Congrats to Vanessa, Ryan, and Ivan for making the cover of Nature Chemistry

Sep 2023

Congrats to Vanessa for winning the School of Chemistry Postgraduate Research Prize for Outstanding Academic Achievement

Aug 2023

Congrats to Liam for winning the Hush Prize in Theoretical Chemistry

Aug 2023

Congrats to Daniel for winning the Faculty of Science Postgraduate Research Prize for Outstanding Academic Achievement

Jul 2023

Ivan receives a Future Fellowship from the Australian Research Council

Feb 2023

Welcome Hayden, who joins us for an undergraduate research project