Professor Chris-Kriton Skylaris is at the School of Chemistry at the University of Southampton. He co-leads the Experimental and Digital parametrisation work package and is working on the development of large-scale atomistic simulation models for batteries in the ONETEP program and their coupling to higher scale modes as in the PyBaMM program.

WP1 is co-led by Emma Kendrick (Birmingham) and Chris Kriton Skylaris (Southampton), and supported by Harry Hoster (Lancaster), Denis Kramer (Southampton), Sam Cooper (ICL), Charles Monroe (Oxford), Paul Shearing (UCL), Saiful Islam (Oxford) and Ben Morgan (Bath). Models which have many different parameters are only effective if the initial values for these parameters are as close to the real value as possible. To some extent, these parameters can be either measured, using carefully controlled experiments, or estimated through sound theoretical means

Dr. Mahwash Mahar Gul is a research fellow at the School of Metallurgy and Materials at the University of Birmingham. She is working under Prof. Emma Kendrick on Li ion battery parameterization.

Dr Carlos Garcia is a Research Associate at the Electrochemical Science and Engineering Group, Imperial College London. His research turns around electrochemical characterisation and rapid ageing, supporting the development of new and improved lithium-ion batteries.

Jacek Dziedzic’s work on MSM focuses on methods for implicit solvation and their implementation in the ONETEP program for linear-scaling density functional theory calculations.

Julian Holland is a Faraday-aligned PhD researcher at the University of Southampton, where he works with Prof. Chris Skylaris on the atomistic modelling of battery materials including graphite nanoparticles and solid-electrolyte material LLZO.

Roksana is a PhD Researcher at the University of Birmingham, where she works under the supervision of Professor Emma Kendrick on developing methodologies for the parameterisation of battery interfaces.

Emmanuelle has a degree in chemistry received from the University of Edinburgh and is undertaking a PhD focusing on modelling open circuit voltage hysteresis in Li-ion and Na-ion batteries, supervised by Prof. Charles Monroe, as part of the multi-scale modelling project.  She was inspired to pursue a career in the battery sector after having undertaken a Faraday Undergraduate Summer Experience (FUSE) Internship in 2021 looking at electrolyte materials. With an interest in tackling climate change and helping to create a more sustainable future, Emmanuelle is looking to pursue a career in the energy sector, helping towards the target of Net Zero whether that be in academia or industry.

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Irma is an associated PhD student at the University of Birmingham, looking at developing novel sensing methodologies to monitor battery performance, degradation, and safety. She is jointly supervised by Professor Emma Kendrick and Professor Gerard Fernando.

Professor Gregory Offer is the PI of the MSM project. Professor of Electrochemical Engineering at Imperial College London his research spans the interface between the science of how batteries work and the engineering of how to design the best products around them.