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
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, Physical Chemistry Chemical Physics, (2026).
Assessment of individualised dynamic environmental exposures within The World Avatar
Jiying Chen, Jethro Akroyd, Sebastian Mosbach, Feroz Farazi, Xinhong Deng, Kok Foong Lee, Mei Qi Lim, George Brownbridge, Tom Bishop, Will Cuningham, Tomas Gonzales, Thomas Burgoine, Jenna Panter, Louise Foley, Søren Brage, Nicholas J. Wareham, and Markus Kraft, Computers, Environment and Urban Systems 129, 102476, (2026).
Computational Modelling Workflows for Metal-Organic Polyhedra in The World Avatar
Patrick Butler, Simon D. Rihm, Sebastian Mosbach, Jethro Akroyd, and Markus Kraft, Physical Chemistry Chemical Physics 28, 14828-14838, (2026).
Patrick Butler, Simon D. Rihm, Sebastian Mosbach, Jethro Akroyd, and Markus Kraft, Journal of Chemical Information and Modeling 66(7), 3933-3943, (2026).