Publications

Found 6 results
Filters: Author is Corma, Avelino  [Clear All Filters]
2023
P. Ferri, Li, C., Schwalbe-Koda, D., Xie, M., Moliner, M., Gómez-Bombarelli, R., Boronat, M., and Corma, A., “Approaching enzymatic catalysis with zeolites or how to select one reaction mechanism competing with others”, Nature Communications, vol. 14, p. 2878, 2023.
2022
D. Schwalbe-Koda, Santiago-Reyes, O. A., Corma, A., Román-Leshkov, Y., Moliner, M., and Gómez-Bombarelli, R., “Repurposing Templates for Zeolite Synthesis from Simulations and Data Mining”, Chemistry of Materials, 2022.
E. Bello-Jurado, Schwalbe-Koda, D., Nero, M., Paris, C., Uusimäki, T., Román-Leshkov, Y., Corma, A., Willhammar, T., Gómez-Bombarelli, R., and Moliner, M., “Tunable CHA/AEI Zeolite Intergrowths with A Priori Biselective Organic Structure-Directing Agents: Controlling Enrichment and Implications for Selective Catalytic Reduction of NOx”, Angewandte Chemie International Edition, 2022.
2021
D. Schwalbe-Koda, Corma, A., Román-Leshkov, Y., Moliner, M., and Gómez-Bombarelli, R., “Data-Driven Design of Biselective Templates for Intergrowth Zeolites”, The Journal of Physical Chemistry Letters, vol. 12, pp. 10689-10694, 2021.
Z. Jensen, Kwon, S., Schwalbe-Koda, D., Paris, C., Gómez-Bombarelli, R., Román-Leshkov, Y., Corma, A., Moliner, M., and Olivetti, E. A., “Discovering relationships between OSDAs and zeolites through data mining and generative neural networks”, ACS Central Science, vol. 7, pp. 858–867, 2021.
D. Schwalbe-Koda, Kwon, S., Paris, C., Bello-Jurado, E., Jensen, Z., Olivetti, E. A., Willhammar, T., Corma, A., Román-Leshkov, Y., Moliner, M., and Gómez-Bombarelli, R., “A priori control of zeolite phase competition and intergrowth with high-throughput simulations”, Science, p. eabh3350, 2021.