Transcript Computational Modelling within Johnson Matthey Technology

Computational Modelling Within
Johnson Matthey Technology Centre
Glenn Jones
Johnson Matthey
Group Divisional Structure
Emission Control
Technologies
Process
Technologies
Precious Metal
Products
• Light Duty Catalysts
Chemicals
Services
• Heavy Duty Catalysts
• Chemical Technologies
(DPT)
• Platinum Marketing
and Distribution
• Stationary Emissions
Control
• Refining
• Chemical Catalysts
(inc. Formox)
Manufacturing
• Refineries
• Noble Metals
• Colour Technologies
• Chemical Products
• Purification
• Tracerco
Confidential
• Active Pharmaceutical
Ingredient (API)
Manufacturing
• Catalysis and Chiral
Technologies
• Syngas
Oil and Gas
Fine
Chemicals
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• Research Chemicals
New
Businesses
• New Business
Development
• Water
• Battery Technologies
• Fuel Cells
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)
•
•
•
2013/2014
Pretoria, S.Africa
Gross R&D spend ~£135million
1,200 people+ in R&D functions
~ 270 scientists based at Technology
Centres
Confidential
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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
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Computational Catalysis
A 21st Century Science
Confidential
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Multi-Scale Modelling at JMTC
Condition and Material Complexity
Confidential
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Multi-Scale Modelling at JMTC
Where are we presently UK/ZA
Confidential
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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
Confidential
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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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