Advanced solutions for UK businesses

We are giving UK industry the place, space, and expertise to make informed investment decisions about their future with emerging technologies like quantum computing.
We focus on quantum computing software, exploring cutting-edge quantum computing theory, and investigating the intersection between classical high-performance computing applications and the emerging potential of quantum computing. This enables us to address practical and integration challenges to reduce the investment risk associated with emerging technologies to deliver seamless quantum-hybrid solutions to UK businesses.

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Success Stories

Case Studies

Utilising quantum computing for breast cancer subtyping

STFC Hartree Centre worked with Royal Brompton Harefield Hospitals, Imperial College London and IBM through the Hartree National Centre for Digital Innovation (HNCDI) using quantum computing to differentiate between breast cancer subtypes.

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Case Studies

Using quantum computing to improve molecular modelling in drug development

STFC Hartree Centre worked with AstraZeneca and Algorithmiq through the Hartree National Centre for Digital Innovation (HNCDI) programme to improve molecular modelling accuracy and accelerate drug development.

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Case Studies

Boosting the efficiency of drug discovery using quantum computing

As part of the Hartree National Centre for Digital Innovation (HNCDI) programme, STFC Hartree Centre collaborated with IBM Research to explore how quantum computing can be used to increase efficiency in drug discovery and development.

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Blog

Drug discovery with quantum machine learning

Ahead of our quantum workshop at the International Supercomputing Conference, we are sharing research on virtual screening for drug discovery using quantum computing by Stefano Mensa, our Advanced Computing and Emerging Technologies Team Leader and IBM Quantum.

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News

UK Government puts spotlight on emerging digital technologies 

The STFC Hartree Centre recently featured in the Department of Science, Innovation and Technology’s National Quantum Strategy and Future of Compute Review, where our case studies demonstrate the potential of emerging digital technologies to enhance productivity and innovation in UK industry.  

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Dark servers data center room with bright halo light going through the corridor 3D rendering
Blog

Is the UK ready for exascale computing?

What does the dawn of exascale computing mean for the UK, and how will this change UK industry? Find out what our Director Katherine Royse has to say on the matter.

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What can I expect once I contact the Hartree Centre?

1

 Initial enquiry

Once we receive your enquiry, it will be directed to our Business Development Team.

2

Consultation

Our team will engage in an informal discussion with you to thoroughly understand your challenges, requirements and suitability to the Hartree Centre.

3

 Challenge Statement

After our consultation, you will be sent a challenge statement form to complete.

4

Project Scoping

Once we receive the challenge statement back we will arrange a meeting involving you and the relevant technical team to define the scope of your project.

FAQs

Quantum computing follows the principles of quantum mechanics to process information. Unlike classical computing which works with bits (0,1) quantum computing uses quantum bits called qubits. These can exist in multiple states simultaneously which allows quantum computers to perform complex calculations more efficiently than classical computers.

Quantum computing has the potential to revolutionise different industries. Some practical applications include supply chain and logistics optimisation, enhancing cybersecurity through quantum encryption and accelerating material and drug discovery

To begin adopting this technology, businesses can identify problems that could be solved through quantum computing and approach an organisation like us to provide a solution. We can create the solution as well as access to the quantum hardware to implement it. We also provide training to upskill your staff in quantum computing to ensure your business can take full advantage of the technology.

 

 

Research Publications

Evolving a Multi-Population Evolutionary-QAOA on Distributed QPUs

F. Schiavello, E. Altamura, I. Tavernelli, S. Mensa and B. Symons, Evolving a Multi-Population Evolutionary-QAOA on Distributed QPUs, arXiv, https://arxiv.org/abs/2409.10739
Keywords: Evolutionary Algorithms, Quantum Approximate Optimization Algorithm, Max-Cut problem

 

 

 

 

 

Efficient Parameter Optimisation for Quantum Kernel Alignment: A Sub-sampling Approach in Variational Training

S. M. Emre, B. Symons, P. Pati, F. Minhas, D. Millar, M. Gabrani, S. Mensa and J. L. Robertus, Efficient Parameter Optimisation for Quantum Kernel Alignment: A Sub-sampling Approach in Variational Training, arXiv, https://doi.org/10.48550/arXiv.2401.02879
Keywords: quantum machine learning, kernel alignment, sub-sampling, kernel matrix

 

 

 

 

 

 

A. Kan and B. Symons, Resource-optimized fault-tolerant simulation of the Fermi-Hubbard model and high-temperature superconductor models, arXiv, https://arxiv.org/abs/2411.02160

Keywords: fault-tolerance, Fermi-Hubbard model, quantum chemistry

 

 

 

 

 

 

Boosted Imaginary Time Evolution of Matrix Product States

B. Symons, D. Manawadu, D. Galvin and S. Mensa, Boosted Imaginary Time Evolution of Matrix Product States, arXiv, https://doi.org/10.48550/arXiv.2405.04959

Keywords: simulation, algorithm efficiency, convergence, ground state.

 

 

 

 

 

An Educational and Training Perspective on Integrating Hybrid Technologies with HPC Systems for Solving Real-World Commercial Problem

Stefano Mensa, E. Sahin, G. Williamson and R. J. Allan, An Educational and Training Perspective on Integrating Hybrid Technologies with HPC Systems for Solving Real-World Commercial Problems, Journal of computational science education, https://jocse.org/articles/14/1/6/
Keywords: hybrid technologies, training, education, HPC, digital technologies

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Nonadiabetic Nuclear-Electron Dynamics: A Quantum Computing Approach

A. Kovyrshin, M. Skogh, L. Tornberg, A. Broo, S. Mensa, E. Sahin, B. Symons, J. Crain and I. Tavernelli, Nonadiabetic Nuclear-Electron Dynamics: A Quantum Computing Approach, The journal of physical chemistry letters, https://pubs.acs.org/doi/10.1021/acs.jpclett.3c01589

Keywords: time evolution of molecular systems, proton transfer dynamics, quantum algorithm, entanglement

 

 

 

 

 

 

Toward Accurate Post-Born-Oppenheimer Molecular Simulations on Quantum Computers: An Adaptive Variational Eigensolver with Nuclear-Electronic Frozen Natural Orbitals

A. Nykänen, A. Miller, W. Talarico, S. Knecht, Arseny Kovyrshin, Mårten Skogh, L. Tornberg, Anders Broo, Stefano Mensa, Benjamin, E. Sahin, J. Crain, I. Tavernelli and F. Pavošević, Toward Accurate Post-Born-Oppenheimer Molecular Simulations on Quantum Computers: An Adaptive Variational Eigensolver with Nuclear-Electronic Frozen Natural Orbitals, Journal of Chemical Theory and Computation, https://pubs.acs.org/doi/10.1021/acs.jctc.3c01091

Keywords: nuclear quantum effects, nuclear-electronic orbital, Born-Oppenheimer approximation

 

 

 

 

Quantum Machine Learning Framework for Virtual Screening in Drug Discovery: a Prospective Quantum Advantage

S. Mensa, E. Sahin, F. Tacchino, P. Kl Barkoutsos and I. Tavernelli, Quantum Machine Learning Framework for Virtual Screening in Drug Discovery: a Prospective Quantum Advantage, Machine Learning: Science and Technology, https://arxiv.org/abs/2204.04017
Keywords: Ligand Based Virual Screening, Support Vector Classifier, quantum kernel, quantum advantage

 

 

 

 

Quantum Optimization: Potential, Challenges, and the Path Forward

A. Abbas, A. Ambainis, B. Augustino, A. Bärtschi, H. Buhrman, C. Coffrin, G. Cortiana, V. Dunjko, D. J. Egger, B. G. Elmegreen, N. Franco, F. Fratini, B. Fuller, J. Gacon, C. Gonciulea, S. Gribling, S. Gupta, S. Hadfield, R. Heese and G. Kircher, Quantum Optimization: Potential, Challenges, and the Path Forward, arXiv, https://doi.org/10.1038/s42254-024-00770-9
Keywords: quantum optimization, quantum algorithms, computational complexity theory, quantum advantage, benchmarking

 

 

 

 

 

 

 

 

A quantum computing implementation of nuclearelectronic orbital (NEO) theory: Toward an exact pre-Born-Opennheimer formulation of molecular quantum systems

A. Kovyrshin, M. Skogh, A. Broo, S. Mensa, E. Sahin, J. Crain and I. Tavernelli, A quantum computing implementation of nuclearelectronic orbital (NEO) theory: Toward an exact pre-Born-Opennheimer formulation of molecular quantum systems, The Journal of Chemical Physics, https://doi.org/10.1063/5.0150291.
Keywords: Born-Oppenheimer approximation, electron-nuclear quantum dynamics, near-term quantum computers