Members

Director of the Centre for Computational Science
Prof. Peter V. Coveney Professor in Physical Chemistry	Theoretical and computational science, atomistic, mesoscale, and multiscale modelling, statistical mechanics, high performance computing, visualisation.

Research Fellows
Dr Krishnakumar Gopalakrishnan Research Fellow and Scientific Computing Officer	Modelling and multi-scale finite-element simulation of novel engineering materials
Dr Shunzhou Wan Post-Doctoral Research Associate	Molecular dynamics and binding free energies.
Dr James Suter Post-Doctoral Research Associate	Ab initio and classical materials modelling and simulation.
Dr Maxime Vassaux Post-Doctoral Research Associate	Multiscale modelling of mechanical properties of clay/graphene-polymer nanocomposites and investigation of their hierarchical failure mechanisms.
Dr Robin Richardson Post-Doctoral Research Associate	Multiscale Simulations
Dr Alex Patronis Post-Doctoral Research Associate	Development of extreme-scale computing technologies, methods, and algorithms for biomedical applications
Dr Andrew Tranter Post-Doctoral Research Associate	Quantum Computing for Electronic Structure Calculation
Dr Qingfen Yu Post-Doctoral Research Associate	Molecular Dynamics and Binding Free Energies
Dr Fouad Husseini Post-Doctoral Research Associate	Structure, function, and dynamics of biological systems; free energy methods and QSAR
Dr Jon McCullough Post-Doctoral Research Associate	Thermal Lattice Boltzmann method and discrete element method for particle suspensions

PhD students
Mr Robert Sinclair PhD Student	Multiscale material modelling, graphene exfoliation, graphene oxide and polymer nanocomposites.
Ms Katya Ahmad PhD Student	Molecular dynamics simulations of DNA nanostructures in membrane environments
Mr Alex Gheorghiu PhD Student	Quantum mechanics (QM) and molecular mechanics (MM) to model multi-scale mutations in DNA
Mr Jason Clark PhD Student	Application of molecular dynamics-driven design of function-directed ligands for selective retinoic acid receptor binding

Management team
Dr Hugh S. C. Martin Senior Scientific Project Manager	Nucleotide-Nanopore Research, Project Management, Dissemination and Innovation Management in the areas of Computational Biomedicine, High Performance Computing, and Multiscale Computing.
Dr Emily Lumley Project Manager and Scientific Administrator	Project management, organic chemistry, microfluidics.
Dr Xuanye Gu Project Manager and Scientific Administrator	Information theory, fibre-optic communication, systems modelling, and project management.
Dr Apostolos E. A. S. Evangelopoulos Project Manager and Scientific Administrator	Computational and experimental physics of polymers on surfaces, magnetic fluids, and colloidal gels. Project management.

Visiting fellows
Dr Chris Greenwell Visiting Fellow	Durham University, UK.
Prof. Shantenu Jha Visiting Fellow	Rutgers University, New Jersey, USA
Dr Ali Haidar Visiting Fellow	HSBC, Information Security and Risk, UK
Dr Derek Groen Visiting Fellow	Brunel University, UK
Dr Ulf Schiller Visiting Fellow	Clemson University, USA
Dr. Miguel Bernabeu Visiting Fellow	Edinburgh University, UK
Dr Stefan Zasada Visiting Fellow	Barclays, Head of Engineering - Business Banking, UK


Visiting students
Ms Maryam Lotfi HPC-Europa3 Visiting Student	Free-energy prediction using ensemble-based molecular dynamics approaches on high-performance supercomputers

Members

Director of the Centre for Computational Science

Research Fellows

PhD students

Management team

Visiting fellows

Visiting students