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.
- Sascha Klawohn (2021-). Sascha is working within the NOMAD Centre of Excellence to develop tools for big data analytics for materials science. He is co-supervised by Albert Bartok-Partay (Engineering/Physics).
- Lakshmi Shenoy (HetSys CDT PhD Student, October 2020-). Lakshmi's PhD project is part-supported by the ENTENTE Horizon 2020 project and focusses on atomistic modelling of crack propagation in iron and steel, relevant for reactor pressure vessels used in nuclear power plants.
- Iain Best (HetSys CDT PhD Student, October 2020-). Iain's PhD project focusses in quantifying the uncertainty in simulations carried out with interatomic potentials.
- James Brixey (Diamond CDT PhD 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.
- Harry Tunstall (PhD Student, October 2018–). Harry's project relates to building and applying machine learning models for silicon carbide. He is co-supervised by Dr Gabriele Sosso in Chemistry.
See also the Warwick Centre for Predictive Modelling People pages
Former group members
- Dr Berk Onat (Postdoc, May 2017-2021). Berk worked 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, and the Leverhulme Trust project On The Nature of Interatomic Forces in Metals in collaboration with Prof. Christoph Ortner. Now at Dassault Systemes BIOVIA.
- Dominic Stone (MathPhys, HetSys summer student 2020). Dominic worked on uncertainty quantification for continuum linear elasticity as was co-supervised by Thomas Hudson from Mathematics.
- Dr Petr Grigorev (Postdoc, 2017-2020). Petr working on two EPSRC projects: Predictive Modelling of the Fundamentals of Failure in Metals and Reducing risk through uncertainty qualification for past, present and future generations of nuclear power plants. Now a postdoc at CiNAM Marseille in the group of Tom Swinburne.
- Punit Patel (PhD Student, 2015-2019). Punit's PhD project combined atomistic simulations with improved continuum models for crack propagation.
- Stela Makri (PhD Student, 2015-2019). Stela's PhD project focussed on numerical analysis of transition state search methods for rare events. She was co-supervised by Prof. Christoph Ortner in Mathematics.
- Nikola Raic (Advanced Mechanical Engineering MSc Student, 2018-19). Nikola's project involved simulation of fracture in two dimensional materials such as graphene.
- Dr Gautam Anand (Postdoc, April 2018-March 2019). Now an Assistant Professor at IIEST, Shipbur (Kolkota).
- Yijie Zhao (Advaned Mechanical Engineering MSc Student, 2017-18). Yijie's project involves uncertainty quantification for a random defect model of crack growth in crystals.
- Dr Letif Mones (Postdoc, Sept 2017-Feb 2018). Letif was funded by ARCHER eCSE project 11-7 to implement preconditioned geometry optimisers in the CASTEP and ONETEP codes.
- 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, and he's now back to do a PhD with me and Gabriele Sosso.
- 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.