Research Overview

Dr Abbie Trewin is a materials chemist using computational methodologies to investigate the structure and properties of materials for energy applications.

In 2009, she was awarded a Royal Society University Research Fellowship entitled ‘Materials for Energy Applications’ this was extended in 2014 for ‘Discovery of “Next Generation” Materials for Energy and Sustainability’. She was awarded an EPSRC grant entitled ‘Porous Dynamic Materials for Energy Applications’. She was also a co-applicant on an EPSRC grant entitled ‘Renewable chemicals from sustainable feedstocks via high-thoroughput methods’.

Abbie specialises in modelling the formation process, structure and simulating the properties of amorphous porous materials. She is particularly interested in generating the structure of particularly challenging amorphous porous polymer networks so that she can assess their properties for applications such as ion batteries, supercapacitors, gas storage and catalysis.

Working in close collaboration with leading synthetic groups she has developed novel computational methodologies.

Her main research interests are:

• Artificial Synthesis of Amorphous Materials: Code development for amorphous polymer structure generation from the material building blocks fully following the synthetic procedure including catalytic processes.
• Analysis Techniques and Development: Development of specialised computational methodologies for structural analysis and characterisation of porous materials. Examples include diffusion of Li ions for assessment of Li ion battery cathode materials, diffusion and organisation of ions for supercapacitor anode and cathode materials and as solid state electrolytes.
• Structure Prediction: Atomistic simulations are used to explore hypothetical amorphous networks that may offer novel properties or structural control. These concepts are currently being developed synthetically based on initial computational efforts.