A team from the Quantum Software Lab (QSL) in the School of Informatics at the University of Edinburgh, working with colleagues in the School of Chemistry and in collaboration with Q-CTRL, has advanced to the semi-final round of the XPRIZE Quantum Applications competition - a $5 million global challenge backed by Google. The competition seeks to accelerate the development of quantum computing applications with the potential to deliver transformative real-world impact. The Edinburgh team is among a select group of semi-finalists chosen from 133 submissions across 31 countries, recognised for their innovative approach to solving complex scientific and industrial problems using quantum technologies.The XPRIZE Quantum Applications challenge calls on teams worldwide to develop quantum algorithms ready for deployment as hardware advances, tackling global issues in health, climate, energy, and materials science. The University of Edinburgh submission focuses on molecular dynamics simulations, a cornerstone of modern computational chemistry that underpins key applications in drug and materials discovery. However, these simulations are extremely resource-intensive, with computational cost increasing sharply as system size grows. The QSL team is developing advanced quantum algorithms to efficiently simulate large molecular assemblies on quantum computers - opening the door to a new generation of digital twins that could model lab experiments with unprecedented accuracy and scale. The project was largely led by early-career researchers — Ioannis Kolotouros (Q-CTRL), and Adithya Sireesh, Stuart Ferguson and Sean Thrasher (QSL). The team was mentored by Dr Petros Wallden, and Professor Julien Michel.Doctor Petros Wallden is Reader at the School of Informatics and expert in quantum computation, quantum cryptography and quantum information theory. This is a very exciting project that brings together theoretical quantum algorithms, their practical implementation and the domain expertise from chemistry, a synergy that could unlock the transformative promise that quantum computing holds. Petros Wallden Reader in the School of Informatics, The University of Edinburgh Professor Julien Michel from the School of Chemistry, joined the Quantum Software Lab earlier this year. His group specialises in computational methods for drug discovery and is particularly interested in quantum algorithms that can model molecular assemblies relevant to healthcare and materials science, achieving precision and scale beyond the reach of traditional high-performance computing. It is a pleasure to work with a talented team of early-career researchers on this multidisciplinary project, helping to guide research in quantum algorithms towards addressing bottlenecks in computational chemistry. Julien Michel Professor of Biomolecular Simulation at the School of Chemistry, The University of Edinburgh The Quantum Software Lab The Quantum Software Lab, hosted within the School of Informatics, serves as a central hub for quantum software development in the UK. Working closely with the National Quantum Computing Centre (NQCC), researchers at QSL collaborate with industry partners and applications engineers to identify, develop, and validate real-world use cases for quantum computing - translating theoretical advances into practical solutions.Reaching the semi-finals represents a major milestone for the Edinburgh team and underlines the University’s growing international leadership in quantum computing and software innovation. The XPRIZE Quantum Applications competition will continue through 2026/27, as semi-finalists refine their applications and compete for a place in the final round, with winners being announced in the Spring of 2027. Related links View XPRIZE Quantum Applications Prize website Quantum Software Lab National Quantum Computing Centre Q-CTRL Website Publication date 28 Oct, 2025
