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The original focus is still in place with a new skeletal mechanism now being used, developed by Neal using a Directed Relational Graph (. DRG. ) method which halves the size of the ... At the end of September 2008 Neal will return to Cambridge for his

News item 179. Congratulations to Wanni Xie and Markus Hofmeister. 04 July 2024.

News item 151. Preprint 265 published. 19 January 2021. Preprint 265, "ElChemo: A Cross-Domain Interoperability in a Chemical Plant", has been published!

News item 127. CoMo group open to Feodor Lynen Research Fellows.

News item 132. Preprint 234 published. 08 August 2019. Preprint 234, "Reactivity of polycyclic aromatic hydrocarbon radicals: implications for soot formation", has been published!

News item 123. Preprint 218 published. 20 January 2019. Preprint 218, "OntoKin: An Ontology for Chemical Kinetic Reaction Mechanisms", has been published!

News item 102. Preprint 107 published. 23 August 2011. Preprint 107, "Assessing the PAHAP potential with application to the exfoliation energy of graphite". .

News item 72. Preprint 88 published. 10 January 2010. Preprint 88, "A Detailed Chemistry Simulation of the SI-HCCI Transition", has been published on the CoMo Group website. .

News item 47. Preprint 67 Published. 17 February 2009. Preprint 67, "A detailed model for the sintering of polydispersed nanoparticles agglomerates", has been published on the CoMo Group website. .

News item 15. Preprint 49 Published. 26 July 2007. Preprint 49, "Towards a Comprehensive Model of the Synthesis of TiO. ... The particle model incorporating inception, coagulation, growth, and sintering, is coupled to the new gas phase kinetic model

In this work we develop new ontologies to extend the World Avatar knowledge graph to represent gas grids, gas consumption statistics, and climate data. ... Using a combination of the new and existing ontologies we construct a Universal Digital Twin that

News item 158. Preprint 276 published. 29 July 2021. Preprint 276, ''Universal Digital Twin - Land Use'', has been published!

News item 61. Preprint 78 published. 04 August 2009. Preprint 78, "Statistical approximation of the inverse problem in multivariate population balance modelling", has been published on the CoMo Group website. .

News item 51. Preprint 71 Published. 27 April 2009. Preprint 71, "Electronic and optical properties of aluminium-doped anatase and rutile TiO.

News item 147. PhD studentship available: Modelling the plasma synthesis of graphene.

News item 117. UK/EU Studentship in Computational Chemical Engineering. 23 April 2015.

News item 79. Preprint 95 published. 23 March 2010. Preprint 95, "Comparison of the Stochastic Fields method and DQMoM-IEM as turbulent reaction closures", has been published on the CoMo Group

News item 76. Preprint 92 published. 05 February 2010. Preprint 92, "Moving Toward Establishing More Robust and Systematic Model Development for IC Engines Using Process Informatics", has been published on the

The energetics and the kinetics of the new reactions are studied using density functional theory (DFT) and transition state theory, respectively, and their evaluated rates are presented. ... Due to a discrepancy in the rate for CO removal from soot

News item 167. Preprint 284 published. 10 November 2021. Preprint 284, ''From Platform to Knowledge Graph: Evolution of Laboratory Automation'', has been published!