Adding Value to your Business through Materials Modelling

Tuesday 2nd July 2013
Contact: TYC Administrator
Tel: +44 (0)20 7679 9950


This one day workshop, run jointly by the Thomas Young Centre and the NanoKTN and Chemistry InnovationKTN will provide attendees from industry with the current state of the art in theory and simulation of materials together with opportunities to discuss with experts from the Thomas Young Centre specific ways in which modelling could be used in their organisation to deliver real value. It will also provide members of the Thomas Young Centre with the opportunity to build new collaborations with industry leading to work on challenging and interesting use-inspired problems.


09.30 Registration & Networking

10.00 Welcome & Introduction
Dr Barry Park, NanoKTN & Darren Ragheb, Chemistry Innovation KTN

10.10 An Introduction to the Thomas Young Centre (TYC): London Centre for the Theory and Simulation of Materials
Prof Angelos Michaelides, Director, TYC

10.25 What's the Evidence for the Economic Impact of Molecular Modelling?
Gerhard Goldbeck, Director, Goldbeck Consulting

10.50 Break & Networking

11.10 How the Computed Crystal Energy Landscape can Complement Experimental Polymorph Screening
Prof Sally Price, Computational Chemistry, UCL

11.30 Molecular Computation in Industry: A Perspective from BP
Nick Hazel, DRL Molecular Computation Network Leader, BP Chemicals

11.55 Applying Materials Modelling to Industrial Catalysis
Dr David Thompsett, Technology Manager, Emissions Control Research, Johnson Matthey Technology Centre

12.20 Value of Atomic-scale Simulations for Industrial R&D
Erich Wimmer, Co-founder & President, Materials Design, Inc

12.45 Crystal Plasticity and Forming Limits for the Auto Industry
Prof Fionn Dunne, Imperial College London

13.05 Lunch & Networking

14.00 Innovation Support for Data Exploration
Jonathan Mitchener, Lead Technologist (Information and Communication Technology), Technology Strategy Board

14.20 Introduction to Breakout Sessions

14.30 Breakout Sessions

15.30 Discussions & Conclusions

16.00 Close

At the end of this event, there will be a session where time will be available for attendees to present a specific problem or project proposal confidentially to the appropriate member(s) of the TYC in order to receive advice and guidance on the best solutions or courses of action for your business. This is your opportunity to spend time with experts who could potentially become collaborators on your project. Remember too that modelling the nature and characteristics of the materials you are using and how they interact with other components in your formulation can help accelerate product development and make improve efficiency.

Please submit your proposals for discussion to Dr Barry Park at and one of the TYC’s experts will be identified to spend time with you during the breakout session.



How can materials modelling help you

How can prediction and modelling solve your problems?
Recent years have seen huge advances in the accuracy, realism, and predictive capabilities of tools for the theory and simulation of materials. Predictive modelling has now become a powerful tool which can deliver real value through application and innovation to the nano, chemical and process industries. It now forms an essential part of the research and development effort of many of the world’s leading organisations and can be incredibly valuable for businesses of all sizes. Simulation methods can be routinely used across industry to accelerate product development, increase efficiency, and provide fundamental understanding.  

The Thomas Young Centre (TYC) in London is a world leading expertise hub for predictive modelling. The Centre is an interdisciplinary community of London research groups across Imperial College, King’s College, Queen Mary, and UCL working to address challenges of society and industry through materials modelling and the theory and simulation of materials.

The TYC has a strong track record in working with industry and currently works with a number of large companies such as BP and Rio Tinto, as well as a number of other organisations, to provide training and research. To allow the right decisions to be made the TYC can provide a range of services ranging from bespoke training and consultancy to collaborative research and development and long-term partnerships relevant to large and small businesses. The work of the TYC encompasses a wide range of materials that are important and examples of the industrial sectors where the TYC can provide consultancy and expertise include Environment and Sustainability, Energy and Power Generation, Healthcare, Minerals and Mining, Chemical Industry and Defence and Aerospace.

Why does it matter?
Used in combination with good analysis and experimentation, modelling can drive progress, saving time, effort and resource. Results are tangible, available quickly and project relevant. 

Modelling can be used to solve real issues and problems and push cutting edge research.

This is an approach that you could use now. The timing of this event coincides with the significant growth of modelling capabilities and ready access to High Performance Computing (HPC).

Which approach should I take? 
The challenge with modelling is to understand what is possible, the best approach to take and to determine the resource implications.


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