Liverpool Quantum Computational Chemistry Group
Department of Chemistry; University of Liverpool
We are a newly established quantum computational chemistry group at the University of Liverpool. We design and implement quantum computing algorithms for chemistry and quantum machine learning.
An overview of our research aims, methods and recent highlights can be found on the Research page, and a full list of our publications on the Publications page. You can meet the team on the People page, and if you are interested in working with us, see Join Us.
Research interests: Theoretical and Computational Chemistry · Quantum Machine Learning · Tensor Network Methods (DMRG) · Quantum Computing.
Why √2?
A note from Dilhan.
As a new DPhil student, I inherited a large Fortran code for time-dependent DMRG simulations. These were the pre-LLM days, and the world was in lockdown. Naturally, this meant long nights of coffee and code.
√2 is an important number in quantum mechanics; it appears everywhere. It turned out that the code I inherited had a bug where this number was not used consistently. After several hundred print statements, I finally traced it. It was one of the first times I felt the joy of solving a scientific problem myself, and that memory has stayed with me. As I build my own research group, it feels apt to remember why we do research in the first place.
For me, it is to find stray √2s.
news
| Oct 30, 2026 | The third cohort of University of Liverpool Fellowships has been announced: five five-year Vice-Chancellor’s Engineering Fellowships in the Faculty of Science and Engineering. Applications close on 30 November 2026. |
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| Sep 28, 2026 | Kaj, our first student, joins the group! |
| Sep 01, 2026 | Dilhan joins the Department of Chemistry at the University of Liverpool as a tenure track fellow. |