Atomic-Scale Modelling and its Application to Catalytic Materials Science
Developing an interdisciplinary approach to modelling
3 August 2015
By Misbah Sarwar, Crispin Cooper, Ludovic Briquet, Aniekan Ukpong, Christopher Perry and Glenn Jones
Computer Simulation of Automotive Emission Control Systems
Key developments in modelling of diesel emissions control components and catalysts are highlighted
29 April 2015
By Mehrdad Ahmadinejad, Jonathan E. Etheridge, Timothy C. Watling, Åsa Johansson and Gareth John
Platinum Investment Casting, Part II: Alloy Optimisation by Thermodynamic Simulation and Experimental Verification
Improved casting results found with addition of cobalt to platinum-ruthenium alloys
26 March 2015
By Ulrich E. Klotz, Tiziana Heiss and Dario Tiberto
How Good is Your Model?
“Just because the results are in colour, it doesn’t mean they are right” (1)
26 March 2015
By Hugh Stitt, Michele Marigo, Sam Wilkinson and Tony Dixon
Platinum Investment Casting, Part I: Simulation and Experimental Study of the Casting Process
Developing a materials database for the casting simulation of platinum alloys
23 March 2015
By Tiziana Heiss, Ulrich E. Klotz and Dario Tiberto
Modelling Reactions at the Active Sites of Chiral Ruthenium Catalysts Using Density Functional Theory
NEW APPROACH TO UNDERSTANDING OF CATALYTIC REACTIONS
1 April 2007
