• Introduction
Preprint and cake © Richard West
The Computational Modelling Group publishes articles on research and teaching in the Preprint series of the 'Cambridge Centre of Computational Chemical Engineering'. This series is registered at the British Library with the International Standard Serial Number ISSN 1473-4273. The article title and the corresponding reference can be found under the heading full listing in the menu. Each article is displayed with a title and the corresponding reference, which should be used in that form if one wishes to refer to that article. There is a hyperlink on each title which guides you to the abstract and the PDF version of the full preprint. Most of the preprints are also published at a later date in a peer-reviewed journal. In that case the reference of the journal article is given below the preprint reference.

Recent Preprints

238: Understanding the anatase-rutile stability in flame-made TiO2

Manoel Y. Manuputty, Casper Lindberg, Jochen Dreyer, Jethro Akroyd, John Edwards, and Markus Kraft, Technical Report 238, c4e-Preprint Series, Cambridge, 2019.

237: Topology of disordered 3D graphene networks

Jacob W. Martin, Carla de Tomas, Irene Suarez-Martinez, Markus Kraft, and Nigel Marks, Technical Report 237, c4e-Preprint Series, Cambridge, 2019.

236: Linking Reaction Mechanisms and Quantum Chemistry: An Ontological Approach

Feroz Farazi, Nenad Krdzavac, Jethro Akroyd, Sebastian Mosbach, Angiras Menon, Daniel Nurkowski, and Markus Kraft, Technical Report 236, c4e-Preprint Series, Cambridge, 2019.

235: From data base to knowledge graph - using data in chemistry

Angiras Menon, Nenad Krdzavac, and Markus Kraft, Technical Report 235, c4e-Preprint Series, Cambridge, 2019.