


Director of the Centre for Computational Science | ||
Prof. Peter V. Coveney | ![]() | Theoretical and computational science, atomistic, mesoscale, multiscale modelling, statistical mechanics, high-performance computing, and visualisation. |
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Research Fellows | ||
Dr Darren GreenHonorary Professor | ![]() | Computational Drug Discovery. |
Dr Shunzhou WanSenior Research Fellow | ![]() | Molecular dynamics and binding free energies. |
Dr Xiao XueResearch Fellow | ![]() | Specialising in virtual human digital twins for healthcare, with expertise in the lattice Boltzmann method and physics-informed machine learning. |
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PhD students | ||
Mr Michael Williams de la Bastida | ![]() | Hybrid quantum-classical simulation of biochemistry. |
Mr Tim Weaving | ![]() | Algorithm design for quantum computing applied to electronic structure. |
Mr Sharp Lo | ![]() | High-performance cardiovascular simulations using lattice Boltzmann methods. |
Mr Angus Mingare | ![]() | Quantum algorithms developer. |
Mr Tom Bickley | ![]() | Molecular electronic structure simulation methods and applications to quantum computing. |
Ms Xibei Zhang | ![]() | A bridge engineer with AI and Physics-based methods to accelerate drug discovery. |
Mx. Artemis Y. Song | ![]() | Quantum chemistry simulation on near-term quantum devices. |
Mr Freddie Burns | ![]() | Molecular orbital excited state research. |
Ms Isabelle Heuzé | ![]() | Designing quantum circuits and building tensor networks. |
Mr Maida Wang | ![]() | Quantum machine learning algorithms. |
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Management team | ||
Dr Hugh S. C. Martin | Nucleotide-Nanopore Research, Project Management, Dissemination and Innovation Management in Computational Biomedicine, High-Performance Computing, and Multiscale Computing. | |
Dr Emily Lumley | Project management, organic chemistry, microfluidics. | |
Dr Xuanye Gu | Information theory, fibre-optic communication, systems modelling, and project management. | |
Dr Apostolos E. A. S. Evangelopoulos | Computational and experimental physics of polymers on surfaces, magnetic fluids, and colloidal gels. Project management. | |
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Previous Research Fellows and Visiting Fellows | ||
Dr Krishnakumar Gopalakrishnan | Modelling and multi-scale finite-element simulation of novel engineering materials | |
Dr James Suter | Ab initio and classical materials modelling and simulation. | |
Dr Maxime Vassaux | Multiscale modelling of mechanical properties of clay/graphene-polymer nanocomposites and investigation of their hierarchical failure mechanisms. | |
Dr Robin Richardson | Multiscale Simulations. | |
Dr Alex Patronis | Development of extreme-scale computing technologies, methods, and algorithms for biomedical applications. | |
Dr Andrew Tranter | Quantum Computing for Electronic Structure Calculation. | |
Dr Qingfen Yu | Molecular Dynamics and Binding Free Energies. | |
Dr Fouad Husseini | Structure, function, and dynamics of biological systems; free energy methods and QSAR. | |
Dr Jon McCullough | Thermal Lattice Boltzmann method and discrete element method for particle suspensions. | |
Dr Chris Greenwell | Durham University, UK. | |
Prof. Shantenu Jha | ||
Dr Ali Haidar | HSBC, Information Security and Risk, UK | |
Dr Derek Groen | Brunel University, UK | |
Dr Ulf Schiller | Clemson University, USA | |
Dr. Miguel Bernabeu | Edinburgh University, UK | |
Dr Stefan Zasada | Barclays, Head of Engineering - Business Banking, UK | |
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Previous Students | ||
Mr Robert Sinclair | Multiscale material modelling, graphene exfoliation, graphene oxide and polymer nanocomposites. | |
Ms Katya Ahmad | Molecular dynamics simulations of DNA nanostructures in membrane environments. | |
Mr Alex Gheorghiu | Quantum mechanics (QM) and molecular mechanics (MM) to model multi-scale mutations in DNA. | |
Mr Jason Clark | Application of molecular dynamics-driven design of function-directed ligands for selective retinoic acid receptor binding. | |