XClose

The Centre for Computational Science

Home
Menu

Members

members
 
ccs_members1
 
ccs_members2

Director of the Centre for Computational Science

Prof. Peter V. Coveney
Professor in Physical Chemistry
Peter

Theoretical and computational science, atomistic, mesoscale, multiscale modelling, statistical mechanics, high-performance computing, and visualisation.

 
 

 

Research Fellows

Dr Darren Green
Honorary Professor
DG

Computational Drug Discovery.

Dr Shunzhou Wan
Senior Research Fellow
sz

Molecular dynamics and binding free energies.

Dr Xiao Xue
Research Fellow
XX

Specialising in virtual human digital twins for healthcare, with expertise in the lattice Boltzmann method and physics-informed machine learning.

 
 

 

PhD students

Mr Michael Williams de la Bastida 
PhD Student since 2020
Michael

Hybrid quantum-classical simulation of biochemistry.

Mr Tim Weaving
PhD Student since 2021
tim

Algorithm design for quantum computing applied to electronic structure.

Mr Sharp Lo 
PhD Student since 2021
SL

High-performance cardiovascular simulations using lattice Boltzmann methods.

Mr Angus Mingare
PhD Student since 2023
AM

Quantum algorithms developer.

Mr Tom Bickley
PhD Student since 2023
tom

Molecular electronic structure simulation methods and applications to quantum computing.

Ms Xibei Zhang
PhD Student since 2023
XB

A bridge engineer with AI and Physics-based methods to accelerate drug discovery.

Mx. Artemis Y. Song
PhD Student since 2024
AS

Quantum chemistry simulation on near-term quantum devices.

Mr Freddie Burns 
PhD Student since 2024
FB

Molecular orbital excited state research.

Ms Isabelle Heuzé 
PhD Student since 2024
IH

Designing quantum circuits and building tensor networks.

Mr Maida Wang
PhD Student since 2024
MW

Quantum machine learning algorithms.

 
 

 

Management team

Dr Hugh S. C. Martin
Senior Scientific Project Manager
 

Nucleotide-Nanopore Research, Project Management, Dissemination and Innovation Management in 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.

 
 

 

Previous Research Fellows and Visiting Fellows

Dr Krishnakumar Gopalakrishnan
Research Fellow and Scientific Computing Officer
 

Modelling and multi-scale finite-element simulation of novel engineering materials

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.

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

 
 

 

Previous 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.