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Computational Modelling Within Johnson Matthey Technology Centre

Computational Modelling Within Johnson Matthey Technology Centre. Glenn Jones. Johnson Matthey. Group Divisional Structure. Emission Control Technologies . Process Technologies . Precious Metal Products. Fine Chemicals. New Businesses. Chemicals Chemical Technologies (DPT) Syngas

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Computational Modelling Within Johnson Matthey Technology Centre

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  1. Computational Modelling Within Johnson Matthey Technology Centre Glenn Jones

  2. Johnson Matthey Group Divisional Structure Emission Control Technologies Process Technologies Precious Metal Products FineChemicals New Businesses • Chemicals • Chemical Technologies (DPT) • Syngas • ChemicalCatalysts(inc.Formox) • Oil and Gas • Refineries • Purification • Tracerco • Services • Platinum Marketingand Distribution • Refining • Manufacturing • Noble Metals • Colour Technologies • Chemical Products • Active Pharmaceutical Ingredient (API) Manufacturing • Catalysis and Chiral Technologies • Research Chemicals • New Business Development • Water • Battery Technologies • Fuel Cells • Light DutyCatalysts • Heavy DutyCatalysts • Stationary Emissions Control

  3. Johnson Matthey A Growing Network of Technology Centres Global Operations 2002 Billingham, UK 1975 Sonning Common, UK 2011 Savannah, US 2015 Singapore • Figures (2011/12) • Gross R&D spend ~£135million • 1,200 people+ in R&D functions • ~ 270 scientists based at Technology Centres 2013/2014 Pretoria, S.Africa

  4. Current and Future Research Capabilities Johnson Matthey Technology Centre in South Africa • Jan 2013 Modelling laboratory established at CSIR Pretoria • Aim to develop a centre of excellence in multi-scale, multi disciplinary modelling of materials and processes of relevance to Johnson Matthey. • Build on the JM tradition of fundamental research by conducting world class science within JM laboratories in collaboration with the local academic community. Core – Science Provides underpinning research for the development of new products and processes. Creativity, novel techniques and approaches to work, provide a sustainable science base. Academic Programmes link with Core-science and provide people, ideas, opportunity for blue sky research and fundamental scientific development.

  5. Computational Catalysis A 21st Century Science

  6. Multi-Scale Modelling at JMTC Condition and Material Complexity

  7. Multi-Scale Modelling at JMTC Where are we presently UK/ZA

  8. Multi-Scale Modelling at JMTC-ZA Developing a Multi-Scale Centre of Excellence in Pretoria Develop Existing and Additional Areas of Expertise JMTC Have Current Strong Capability

  9. Using HPC in the Future Tackling The Challenge of Complexity Predictive Modelling Beyond activity – Stability, Preparation Size/Complexity of System Linear Scaling DFT- Utilise Modern Codes New Architecture & Parallelisation – GPU Multi-scale methods (Coupling codes) Experimental Support Characterisation Validation of Calculations Technical Expertise Bridging Disciplines Chem. Phys. Chem. Eng., Biology, Maths

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