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Volume 59, Issue 3
  • ISSN: 2056-5135
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Abstract

Computational methods are a burgeoning science within industry. In particular, recent advances have seen first-principles atomic-scale modelling leave the realm of the academic theory lab and enter mainstream industrial research. Herein we present an overview, focusing on catalytic applications in fuel cells, emission control and process catalysis and looking at some real industrial examples being undertaken within the Johnson Matthey Technology Centre. We proceed to discuss some underpinning research projects and give a perspective on where developments will come in the short to mid-term.

© 2015 Johnson Matthey
This is an Open Access article distributed in accordance with the Creative Commons Attribution Non Commercial (CC BY-NC 4.0) license, which permits others to distribute, remix, adapt, build upon this work non-commercially, and license their derivative works on different terms, provided the original work is properly cited and the use is non-commercial. See: http://creativecommons.org/licenses/by-nc/4.0/
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2015-04-01
2024-12-21
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Atomic-Scale Modelling and its Application to Catalytic Materials Science
Johnson Matthey Technology Review 59, 257 (2015); https://doi.org/10.1595/205651315X687975
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