Procelewska, J.; Llamas Galilea, J.; Clerc, F.; Farrusseng, D.; Schüth, F. Computational Methods in the Development of a Knowledge-Based System for the Prediction of Solid Catalyst Performance. Combinatorial Chemistry & High Throughput Screening2007, 10, 37–50.
Farrusseng, D.; Klanner, C.; Baumes, L.; Lengliz, M.; Mirodatos, C.; Schüth, F. Design of Discovery Libraries for Solids Based on QSAR Models. QSAR & Combinatorial Science2005, 24, 78–93.
Klanner, C.; Farrusseng, D.; Baumes, L.; Lengliz, M.; Mirodatos, C.; Schüth, F. The Development of Descriptors for Solids: Teaching "Catalytic Intuition" to a Computer. Angewandte Chemie-International Edition2004, 43, 5347–5349.
Klanner, C.; Farrusseng, D.; Baumes, L.; Mirodatos, C.; Schüth, F. How to Design Diverse Libraries of Solid Catalysts? QSAR & Combinatorial Science2003, 22, 729–736.
Shalini Yadav, a postdoctoral researcher at the Max-Planck-Institut für Kohlenforschung, has received the Alexander von Humboldt Fellowship to advance her computational chemistry research on enzymes.