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Topological landscapes of porous organic cagesSantolini, Valentina; Miklitz, Marcin; Berardo, Enrico; Jelfs, Kim E. · Nanoscale · 2017
<i>stk</i> : A python toolkit for supramolecular assemblyTurcani, Lukas; Berardo, Enrico; Jelfs, Kim E. · Journal of Computational Chemistry · 2018
pywindow: Automated Structural Analysis of Molecular PoresMiklitz, Marcin; Jelfs, Kim E. · Journal of Chemical Information and Modeling · 2018
Machine Learning for Organic Cage Property PredictionTurcani, Lukas; Greenaway, Rebecca L.; Jelfs, Kim E. · Chemistry of Materials · 2018
Conformational control of Pd <sub/>2</sub> L <sub/>4</sub> assemblies with unsymmetrical ligandsLewis, James E. M.; Tarzia, Andrew; White, Andrew J. P.; Jelfs, Kim E. · Chemical Science · 2020
Computational screening for nested organic cage complexesBerardo, Enrico; Greenaway, Rebecca L.; Miklitz, Marcin; Cooper, Andrew I.; Jelfs, Kim E. · Molecular Systems Design & Engineering · 2019
Predicting solvent effects on the structure of porous organic moleculesSantolini, Valentina; Tribello, Gareth; Jelfs, Kim E. · Chem. Commun. · 2015
An Evolutionary Algorithm for the Discovery of Porous Organic CagesBerardo, Enrico; Turcani, Lukas; Miklitz, Marcin; Jelfs, Kim E. · Chemical Science · 2018