This section presents a record of the group's publications to date. Most of these publications are drawn from preprints, many of which are available in full in the Preprints section. To find out about the group's work in detail you are invited to review the relevant preprint as appropriate.The broad interests of the group are reflected in the wide spectrum of publications in which the group's work is published, ranging from the Journal of Computational Physics to Combustion and Flame and including specialist computational methods journals such as Monte Carlo Methods and Applications.
Recent Publications
Patrick Butler, Simon D. Rihm, Sebastian Mosbach, Jethro Akroyd, and Markus Kraft, Journal of Chemical Information and Modeling 66(7), 3933-3943, (2026).
A Material Passport Ontology for a circular economy
Md Hanif Seddiqui, Feroz Farazi, Fausto Giunchiglia, Mayukh Bagchi, Simone Bocca, Jethro Akroyd, Sebastian Mosbach, Farhadur Arifin, Rasel Ahmed, Miah Arman, Laura Di Cesare, Andrea Pipino, Ural Halaçoğlu, Zeynep Korkmaz, Tanvir Islam, Kasparas Kižys, Donatas Gendvilas, Aydogan Berkay, Sema Yildiz, and Markus Kraft, Computers in Industry 178, 104465, (2026).
A semantic framework for chemical process digitalisation using ontologies
Shuyuan Zhang, Yong Ren Tan, Cuong Manh Nguyen, Dogancan Karan, Srishti Ganguly, Nicholas Jose, Mei Qi Lim, Shuqiao Guo, Lianlian Jiang, Markus Kraft, and Alexei A. Lapkin, Chemical Engineering Journal 533, 174361, (2026).
Frederick Ivens, Jethro Akroyd, and Markus Kraft, Advances in Applied Energy 21, 100263, (2026).