Full List of Preprints with a Reticular Materials theme.

349: LinkerGen: Guided Autoregressive Generation of Organic Linkers for Reticular Chemistry

Patrick Butler, Marcello Costamagna, Felix C. Mocanu, Simon D. Rihm, Feroz Farazi, Sebastian Mosbach, Jethro Akroyd, and Markus Kraft, Technical Report 349, c4e-Preprint Series, Cambridge, 2026.

347: Prediction and synthesis of novel metal-organic polyhedra in The World Avatar

Simon D. Rihm, Patrick Butler, Kumaran Elumalai, Ari F. Fischer, Pei Chong Lim, Rong Xu, Tej S. Choksi, Aleksandar Kondinski, and Markus Kraft, Technical Report 347, 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.

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.

341: Computational Modelling Workflows for Metal-Organic Polyhedra in The World Avatar

Patrick Butler, Arravind Subramanian, Simon D. Rihm, Ari F. Fischer, Tej S. Choksi, Aleksandar Kondinski, Sebastian Mosbach, Jethro Akroyd, and Markus Kraft, Technical Report 341, c4e-Preprint Series, Cambridge, 2025.

340: Inverse Design of Metal-Organic Polyhedra through Molecular Fragmentation and Evolutionary Optimisation

Patrick Butler, Simon D. Rihm, Sebastian Mosbach, Jethro Akroyd, and Markus Kraft, Technical Report 340, c4e-Preprint Series, Cambridge, 2025.

339: Product design, synthesis and lab automation with The World Avatar

Simon D. Rihm, Aleksandar Kondinski, and Markus Kraft, Technical Report 339, c4e-Preprint Series, Cambridge, 2025.

336: Extraction of chemical synthesis information using The World Avatar

Simon D. Rihm, Fabio Saluz, Aleksandar Kondinski, Jiaru Bai, Sebastian Mosbach, Jethro Akroyd, and Markus Kraft, Technical Report 336, c4e-Preprint Series, Cambridge, 2025.

335: twa: The World Avatar Python package for dynamic knowledge graphs and its application in reticular chemistry

Jiaru Bai, Simon D. Rihm, Aleksandar Kondinski, Fabio Saluz, Xinhong Deng, George Brownbridge, Sebastian Mosbach, Jethro Akroyd, and Markus Kraft, Technical Report 335, c4e-Preprint Series, Cambridge, 2025.

329: Automated Assembly Modelling of Metal-Organic Polyhedra

Aleksandar Kondinski, Andrea M Oyarzún, Simon D. Rihm, Jiaru Bai, Sebastian Mosbach, Jethro Akroyd, and Markus Kraft, Technical Report 329, c4e-Preprint Series, Cambridge, 2024.

327: Natural Language Access Point to Digital Metal-Organic Polyhedra Chemistry in The World Avatar

Dan N. Tran, Simon D. Rihm, Aleksandar Kondinski, Laura Pascazio, Fabio Saluz, Sebastian Mosbach, Jethro Akroyd, and Markus Kraft, Technical Report 327, c4e-Preprint Series, Cambridge, 2024.

300: Knowledge Engineering in Chemistry: From Expert Systems to Agents of Creation

Aleksandar Kondinski, Jiaru Bai, Sebastian Mosbach, Jethro Akroyd, and Markus Kraft, Technical Report 300, c4e-Preprint Series, Cambridge, 2022.

292: Automated Rational Design of Metal-Organic Polyhedra

Aleksandar Kondinski, Angiras Menon, Daniel Nurkowski, Feroz Farazi, Sebastian Mosbach, Jethro Akroyd, and Markus Kraft, Technical Report 292, c4e-Preprint Series, Cambridge, 2022.