Current group members
- Dr James Kermode (PI). James' principal research interests are in the development of multiscale materials modelling algorithms and the software that implements them. His work applies this parameter-free modelling to make quantitative predictions of "chemomechanical" materials processes such as fracture and dislocation motion.
- Dr Berk Onat (Postdoc, May 2017-). Berk is working within the Horizon 2020 NOMAD Center of Excellence on materials informatics, extending the capabilities of the NOMAD repository to a range of classical molecular dynamics codes as well as developing machine learning tools to exploit the resulting data.
- Dr Petr Grigorev (Postdoc, May 2017-). Petr is working on the EPSRC project Predictive Modelling of the Fundamentals of Failure in Metals aiming to enable the calculation of QM-accurate energy barriers in large systems.
- Dr Letif Mones (Postdoc, Sept 2017-Feb 2018). Letif is funded by ARCHER eCSE project 11-7 to implement preconditioned geometry optimisers in the CASTEP and ONETEP codes.
- Punit Patel (PhD Student, October 2015-). Punit's PhD project has the ultimate aim of using atomistic simulations to add uncertainty quantification capabilities to continuum crack growth models.
- Stela Makri (PhD Student, October 2015-). Stela's PhD project is focussed on numerical analysis of transitition state search methods for rare events. She is co-supervised by Prof. Christoph Ortner in Mathematics.
- Ian Atkinson (MathSys PhD Student, October 2017-). Ian is applying approximation theory to construct improved interatomic potentials. He is also co-supervised by Prof. Christoph Ortner in Mathematics.
- James Brixey (Diamond CDT Student, October 2017-). James is currently doing the MSc year at the Diamond Science and Technology CDT. From 2018 he will be conducting research on interaction between cracks and defects in diamond.
- Matt Toland (BEng project student, 2017/18)
- Philip Marsh (BEng project student, 2017/18)
- Lewis Robbins (BEng project student, 2017/18)
See also the Warwick Centre for Predictive Modelling People pages
Former group members
- Zhihua Song (BEng Project Student 2016-17; URSS placement Summer 2017). Zhihua's project involved modelling defects in Ni-based superalloys with density functional theory.
- Sebastian Potthoff (CSC MSc Student 2015/16). Sebastian's Centre for Scientific Computing MSc project involves the development of efficient transitition state search algorithms for use in electronic structure codes.
- Harry Tunstall (Chemistry, Materials GRP summer scholarship 2016). Harry worked on uncertainty quantification for kinetic models of surface defects and catalysis, co-supervised by Dr Scott Habershon.
- Avantika Jhanji (School of Engineering, Materials GRP summer scholarship 2015). Avantika worked on atomistic modelling of graphene/polymer nanocomposite fracture, co-supervised by Dr Lukasz Figiel.
- John Woolley (Department of Physics, Materials GRP summer scholarship 2015). John's project designed and tested preconditioners to speed up atomistic calculations, co-supervised by Dr David Quigley in Physics and Prof. Christoph Ortner in Mathematics.
- David Lees (BEng Project Student, 2015/16). David's project, Multiscale Materials Modelling for Silicon devices, was focussed on computing defect migration rates using quantum and classical atomistic methods.
- Ascanio Macchi di Cellere (BEng Project Student 2015/16). Ascanio's project on uncertainty quantification for structural models of nano-composites was co-supervised by Dr Lukasz Figiel from the Nanocomposites Modelling Group in WMG.