EPSRC Centre for Doctoral Training in Modelling of Heterogeneous Systems - HetSys II

Started

Other Cross-Cutting Technologies or Research
Not Energy Related

Training

PHYSICAL SCIENCES AND MATHEMATICS (Metallurgy and Materials)
PHYSICAL SCIENCES AND MATHEMATICS (Computer Science and Informatics)

Not Cross-cutting

Dr J R Kermode
School of Engineering
University of Warwick

Standard

EPSRC

01 October 2024

31 March 2033

102 months

£7,299,617

Energy; Healthcare; R&D

West Midlands

EPSRC Training Grants

Dr J R Kermode, School of Engineering, University of Warwick

Dr LL Bartok-Partay, Chemistry, University of Warwick
Dr P Brommer, School of Engineering, University of Warwick
Dr LW Figiel, Warwick Manufacturing Group, University of Warwick
Professor NDM Hine, Physics, University of Warwick
Dr T Hudson, Mathematics, University of Warwick
Ms V Jelicic, School of Engineering, University of Warwick
Professor PJ Stansfeld, School of Life Sciences, University of Warwick
Professor JB Staunton, Physics, University of Warwick
Dr HL Turner, Statistics, University of Warwick

Meeting emerging science and engineering modelling challenges requires scientists who can master complex theory and simulation techniques, can assimilate data, and can collaborate in multidisciplinary teams with expertise across a range of modelling scales. Securing the UK's position as a world-leading research hub into the future therefore requires a well-integrated pool of researchers with a skillset that is both broad and deep.HetSys is leading the way in addressing these needs by producing students with the tools necessary to meet the challenges of the future through our training programme. We are training the scientists who will develop the next generation of computational models, implemented in reusable software with robust error bars from uncertainty quantification (UQ), and who can learn from experimental and simulated data on an equal footing through advances in 'scientific machine-learning' (SciML). Linking heterogeneous materials models with UQ allows performance to be improved, enabling the technology needed to reach net zero through a step-change in design capability. The ongoing AI revolution has necessitated a redesign of our training programme to enable us to build on what we learnt during the first funding period and deliver our new vision. In particular, changes to our core training enable our students to (i) embed robust and sustainable research software engineering (RSE) in modelling; (ii) quantify modelling uncertainties through enhanced use of statistical methods; and (iii) exploit new trends in scientific machine learning.The research focus of HetSys on new paradigms in the behaviour of heterogeneous materials remains vital for the competitiveness of the UK's high-value manufacturing and automotive industries. Prominent examples of challenges we are addressing include the design of (i) energy materials for future vehicles with reduced carbon footprints; (ii) low dimensional and/or strongly correlated materials for quantum devices; (iii) high entropy alloys for fusion applications; (iv) biomolecules for combatting infectious diseases. Historically, the modelling pattern has focused on just one length- or time-scale; HetSys transforms this landscape by explicitly targeting the multiscale modelling of heterogeneous systems required by industry. The expertise we have accumulated opens up opportunities to capitalise on the transformative combination of mechanistic modelling with data-driven approaches (SciML). This requires a broader combination of disciplinary expertise, provided through our enhanced bespoke training programme.Only a cohort approach can train high-quality computational scientists who can develop and implement new modelling methods in close collaboration with other scientists. The cohesive, interdepartmental cohorts and training programme we are creating lower many of the current barriers to interdisciplinary work and demonstrate our vision for the future of scientific endeavour, where teams ofresearchers work together to combine their skills and expertise. Only a critical mass of students and a large and highly collaborative team of supervisors makes this targeted and fully inclusive training approach feasible. HetSys supports the delivery of EPSRC's Physical and Mathematical Sciences Powerhouse strategic priority, helping to provide the platform on which research and innovation across the sciences is built.

05/06/24