Management and Core Team
HetSys Management Team
Prof. James Kermode
Director, HetSys CDT
Warwick Centre for Predictive Modelling,
School of Engineering
James develops and applies multiscale materials modelling algorithms. Techniques include density functional theory and molecular dynamics, often using machine-learning interatomic potentials. Target applications include chemomechanical materials failure processes where stress and chemistry are tightly coupled, such as propagating cracks or dislocation cores, where local bond-breaking chemistry is driven by long-range stress fields.
Dr Livia Bartok-Partay
Deputy Director, HetSys CDT
Department of Chemistry
Livia is interested in developing computational techniques to sample the potential energy landscape of atomistic systems, focusing on predicting phase transitions and finding thermodynamically stable structures in a range of materials from metals to molecular clusters.
Prof. Nicholas Hine
Deputy Director, HetSys CDT
Department of PhysicsLink opens in a new window
Nick's research focusses on theory and simulation of nanomaterials. He is a developer of the ONETEP Linear-Scaling Density Functional Theory Package, enabling realistic simulations of large systems comprising thousands of atoms, such as interfaces between 2D materials and spectroscopy of molecules in complex environments such as solvents and biomolecules.
HetSys Core Team
Prof. Julie Staunton
Department of PhysicsLink opens in a new window
Julie’s research is in computational magnetic materials modelling for the sub-nanoscale. Techniques are based on Density Functional Theory combined with Disordered Local Moment theory which produces input for longer length scale atomistic models. Current projects include those on permanent magnets, spintronics, complex magnetic ordering, multicomponent alloys, solid state cooling.
Dr Thomas Hudson
Director of Studies, HetSys
Mathematics Institute
Tom's research focuses on the theoretical basis for modelling materials systems, where he is interested in proving that models are well-defined, and that complex models can be accurately approximated analytically or computationally. Examples of techniques he has used and worked on in include: dynamical coarse-graining, stochastic homogenization, large deviations theory and Gamma-convergence.
Dr Peter Brommer
Year 1 and Year 2 Coordinator
Diversity Champion
Warwick Centre for Predictive Modelling,
School of Engineering
“How far can we trust our models?” This is the question Peter tries to answer in his research, through the creation, validation and uncertainty quantification of atomistic models for fast molecular dynamics simulations, particularly in intermetallic systems. He is the main author of thepotfitforce matching code and a member of theopenKIMproject.
Dr Łukasz Figiel
Industry Champion
Warwick Centre for Predictive Modelling,
WMG
Lukasz is interested in predictive multiscale approaches for heterogeneous solids (e.g. composite materials) to provide a fresh insight into a fundamental relationship between their small-scale behaviour and macroscopic properties.
Prof. Phill Stansfeld
Phillip.Stansfeld@warwick.ac.uk
One of the fundamental challenges in biological sciences is to visualise biomolecular machines in high-resolution detail. This is notoriously difficult, expensive and time-consuming to achieve by using experimental techniques, especially for proteins that exist in cell membranes, known as Integral membrane proteins. These proteins play fundamental roles in cell biology e.g. as processing enzymes, ion channels, drug receptors, and solute transporters.
Dr Heather Turner
EPSRC Research Software Engineering Fellow Associate Professor
Part of the 2021 cohort of EPSRC/STFC Research Software Engineering (RSE) Fellows I have a have a 5-year personal fellowship to work on "Sustainability and EDI (Equality, Diversity and Inclusion) in the R Project
Heather has extensive experience in supporting research in the life and social sciences with particular expertise in the areas of statistical modelling and statistical programming using the open source software R.
Admin Team
Sarah Jarratt (lead)
Centre Manager, HetSys
