Computational Modelling Within Johnson Matthey Technology Centre Glenn Jones.

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Presentation transcript:

Computational Modelling Within Johnson Matthey Technology Centre Glenn Jones

Confidential 2 Johnson Matthey Group Divisional Structure Emission Control Technologies Process Technologies Precious Metal Products Fine Chemicals New Businesses Chemicals Chemical Technologies (DPT) Syngas Chemical Catalysts (inc. Formox) Oil and Gas Refineries Purification Tracerco Services Platinum Marketing and 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 Duty Catalysts Heavy Duty Catalysts Stationary Emissions Control

Confidential 3 Johnson Matthey Global Operations A Growing Network of Technology Centres 2015 Singapore 1975 Sonning Common, UK 2002 Billingham, UK 2011 Savannah, US 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

Confidential 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.

Confidential 5 Computational Catalysis A 21 st Century Science

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

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

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

Confidential 9 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 Using HPC in the Future Tackling The Challenge of Complexity