• 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

346: Reduced kinetic mechanism for turbulent combustion of ammonia/air mixtures

Jethro Akroyd, Yu-Chi Kao, Sunkyu Shin, Timo T. Pekkanen, Sebastian Mosbach, William H. Green, and Markus Kraft, Technical Report 346, c4e-Preprint Series, Cambridge, 2026.

345: Leveraging General Molecular Fragments to Expand the Design Space of Metal-Organic Polyhedra

Patrick Butler, Simon D. Rihm, Sebastian Mosbach, Jethro Akroyd, and Markus Kraft, Technical Report 345, c4e-Preprint Series, Cambridge, 2026.

344: Semantic agent-workflow for cross-city heat planning and sector coupling

Jingfeng Zhou, Yi-Kai Tsai, Ralf Müller, Kushagar Rustagi, Jiying Chen, Xiaochi Zhou, Feroz Farazi, Sebastian Mosbach, Jethro Akroyd, and Markus Kraft, Technical Report 344, c4e-Preprint Series, Cambridge, 2026.

343: Ontology-to-tools compilation for executable semantic control of large language models

Xiaochi Zhou, Patrick Butler, Changxuan Yang, Simon D. Rihm, Thitikarn Angkanaporn, Jethro Akroyd, Sebastian Mosbach, and Markus Kraft, Technical Report 343, c4e-Preprint Series, Cambridge, 2026.