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
Product design, synthesis, and lab automation with The World Avatar
Simon D. Rihm, Aleksandar Kondinski, and Markus Kraft, Current Opinion in Chemical Engineering 51, 101203, (2026).
Jieyao Lyu, Qiren Zhu, Geng Xu, Fangmian Dong, Xin Wang, Song He, Xinyi Zhou, Yichen Zong, Markus Kraft, Yang Li, and Wenming Yang, Energy 341, 139402, (2025).
Automated Assembly Modeling of Metal-Organic Polyhedra
Aleksandar Kondinski, Andrea M Oyarzún, Simon D. Rihm, Jiaru Bai, Sebastian Mosbach, Jethro Akroyd, and Markus Kraft, European Journal of Inorganic Chemistry 28(26), 202500115, (2025).
Extraction of chemical synthesis information using The World Avatar
Simon D. Rihm, Fabio Saluz, Aleksandar Kondinski, Jiaru Bai, Patrick Butler, Sebastian Mosbach, Jethro Akroyd, and Markus Kraft, Digital Discovery 4(10), 2893-2909, (2025).