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The last 5 uploaded publications
A priori control of zeolite phase competition and intergrowth with high-throughput simulations
Daniel Schwalbe‐Koda, Soonhyoung Kwon, Cecilia Paris, Estefanía Bello‐Jurado, Zach Jensen, Elsa Olivetti, Tom Willhammar, Avelino Avelino, Yuriy Román‐Leshkov, Manuel Moliner, Rafael Gómez‐Bombarelli (2021). A priori control of zeolite phase competition and intergrowth with high-throughput simulations. Science, 374(6565), pp. 308-315, DOI: 10.1126/science.abh3350.
Article178 days agoDiscovering Relationships between OSDAs and Zeolites through Data Mining and Generative Neural Networks
Zach Jensen, Soonhyoung Kwon, Daniel Schwalbe‐Koda, Cecilia Paris, Rafael Gómez‐Bombarelli, Yuriy Román‐Leshkov, Avelino Avelino, Manuel Moliner, Elsa Olivetti (2021). Discovering Relationships between OSDAs and Zeolites through Data Mining and Generative Neural Networks. ACS Central Science, 7(5), pp. 858-867, DOI: 10.1021/acscentsci.1c00024.
Article145 days agoTunable CHA/AEI Zeolite Intergrowths with A Priori Biselective Organic Structure‐Directing Agents: Controlling Enrichment and Implications for Selective Catalytic Reduction of NOx
Estefanía Bello‐Jurado, Daniel Schwalbe‐Koda, Mathias Nero, Cecilia Paris, Toni Uusimäki, Yuriy Román‐Leshkov, Avelino Avelino, Tom Willhammar, Rafael Gómez‐Bombarelli, Manuel Moliner (2022). 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, 61(28), DOI: 10.1002/anie.202201837.
Article145 days agoApproaching enzymatic catalysis with zeolites or how to select one reaction mechanism competing with others
Pau Ferri, Chengeng Li, Daniel Schwalbe‐Koda, Mingrou Xie, Manuel Moliner, Rafael Gómez‐Bombarelli, Mercedes Boronat, Avelino Avelino (2023). Approaching enzymatic catalysis with zeolites or how to select one reaction mechanism competing with others. Nature Communications, 14(1), DOI: 10.1038/s41467-023-38544-z.
Article145 days agoOne-Pot Synthesis of CHA/ERI-Type Zeolite Intergrowth from a Single Multiselective Organic Structure-Directing Agent
Soonhyoung Kwon, Estefanía Bello‐Jurado, Evgeniia Ikonnikova, Hwajun Lee, Daniel Schwalbe‐Koda, Avelino Avelino, Tom Willhammar, Elsa Olivetti, Rafael Gómez‐Bombarelli, Manuel Moliner, Yuriy Román‐Leshkov (2024). One-Pot Synthesis of CHA/ERI-Type Zeolite Intergrowth from a Single Multiselective Organic Structure-Directing Agent. ACS Applied Materials & Interfaces, 16(12), pp. 14661-14668, DOI: 10.1021/acsami.3c15810.
Article145 days ago