Resource-efficient quantum simulation of chemistry with quantum computers

About the Project

Supervisors:

Dimitrios Angelakis d.angelakis@southampton.ac.uk

This project, within the EPSRC Centre for Doctoral Training in Quantum Technology Engineering at the University of Southampton (https://qte.ac.uk), carries a UKRI TechExpert enhanced annual stipend around £31k for UK students. While researching the project outlined below you will also receive substantial training in scientific, technical, and commercial skills.

Project Description:

This project involves the development of resource-efficient quantum algorithms for molecular simulation and their implementation in quantum hardware in the cloud or directly with experimental collaborators. Beyond the basic science, applications of the quantum solutions developed in transformative technologies like clean energy catalysts and advanced batteries will also be sought.

One of the frontiers of quantum computing is to create cutting-edge algorithms to simulate molecular behaviour in quantum computers. The research direction is to be customized to the participant's background, with potential specializations in: • Designing efficient quantum algorithmic ansatze for variational quantum algorithms for simulating molecular and material systems in ground and excited states. • Preparing for the logical qubit and fault tolerant era, improving circuit efficiency, runtimes, and error correction schemes. • Developing software toolkits and middleware for a wide range of quantum computing applications, including device emulators. The research will involve both analytical ‘pen and paper’ studies as well as numerical simulations; it is also expected to use prototype cloud quantum computers or work with experimental collaborators to implement the solutions developed in quantum hardware. This is your opportunity to translate quantum physics into tangible solutions for the world's most pressing challenges. We are seeking curious minds with a foundation in the physical, engineering or chemical sciences, complemented by strong mathematical and programming intuition. Earlier exposure to quantum computing algorithm or programming courses will be a plus. By joining this pursuit, you will be directly shaping the tools that will make quantum computing a transformative force for industry and society. The project will include funded visits to collaborating groups in Singapore and Greece, as well as leading theoretical and experimental teams in the US, Asia and the EU. Computing Electronic Correlation Energies using Linear Depth Quantum Circuits Summary at https://www.quantulah.org/about/highlight/2024-03-algorithm-quantum-chemistry

For more information, please contact the supervisor: Dimitrios Angelakis d.angelakis@southampton.ac.uk

Entry Requirements:

Undergraduate degree (at least UK 2:1 honours degree, or international equivalent).

Closing Date:

31 July 2026. International applicants must apply before 31 March 2026.

Funding:

See funding notes below.

How to Apply:

Please apply via the online portal and select:

• Programme type: Research
• Academic year: 2026/27
• Full time or part time
• Faculty: Engineering and Physical Sciences

Search for programme PhD Quantum Tech Eng

Please add the name of the supervisor in section 2 of the application.

Applications should include:

• your CV (resumé)
• 2 academic references
• degree transcripts/ certificates to date
• English language qualification (if applicable)

We are committed to promoting equality, diversity, and inclusivity and give full consideration to applicants seeking part-time study. The University of Southampton takes personal circumstances into account, has onsite childcare facilities, is committed to sustainability and has been awarded the Platinum EcoAward.