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.

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.

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.

News

Sep 2026

Congrats to Vanessa for winning the School of Chemistry Postgraduate Research Prize for Outstanding PhD Thesis!

Sep 2026

Congrats to Hannah for winning the RJW Le Fevre DAASN Rao Prize in Physical Chemistry!

Sep 2026

Congrats to Ivan and Ting Rei Tan for winning the Eureka Prize for Excellence in Interdisciplinary Scientific Research!

Aug 2026

Welcome to Joan, who joins us for three months as a visiting researcher from the Niels Bohr Institute

Mar 2026

Congrats to Dr Adesh Kushwaha on completing his PhD

Feb 2026

Welcome to Hannah and Theo, who join us for their Honours projects

Feb 2026

Congrats to Dr Vanessa Olaya-Agudelo on completing her PhD