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Publication in Nature Materials
A subtitle of this work: Machine learning without data!S. M. Moosavi, B. Á. Novotny, D. Ongari, E. Moubarak, M. Asgari, Ö. Kadioglu, C. Charalambous, A. Ortega-Guerrero, A. H. Farmahini, L. Sarkisov, S. Garcia, F. Noé, and B. Smit, A data-science approach to predict the heat capacity of nanoporous materials Nat Mater (2022) http://dx.doi.org/10.1038/s41563-022-01374-3 See the news (…)
Perspective in Nature Chemistry: Pancakes and Chemical Data
See the press release: https://actu.epfl.ch/news/chemical-data-management-an-open-way-forward-6/ Kevin and Luc have written their vision on Open Science and Chemical Data in: K. M. Jablonka, L. Patiny, and B. Smit, Making the collective knowledge of chemistry open and machine actionable Nat Chem 14 (4), 365 (2022) http://dx.doi.org/10.1038/s41557-022-00910-7
Publication in Nature Chemistry
Kevin, Daniele and Mohamad inspired by one of the life lines of “How to become a millionaire” for a model to predict oxidation states of MOFs.Interested:K. M. Jablonka, D. Ongari, S. M. Moosavi, and B. Smit, Using collective knowledge to assign oxidation states of metal cations in metal–organic frameworks Nat Chem (2021) http://dx.doi.org/10.1038/s41557-021-00717-y
Latest publications
An Ecosystem for Digital Reticular Chemistry
K. M. Jablonka, A. S. Rosen, A. S. Krishnapriyan, and B. Smit, An Ecosystem for Digital Reticular Chemistry ACS Cent. Sci. (2023) doi: 10.1021/acscentsci.2c01177Abstract: The vastness of the materials design space makes it impractical to explore using traditional brute-force methods, particularly in reticular chemistry. However, machine learning has shown promise in expediting and guiding materials (…)
MOF-based oxygen carriers with antioxidant activity resulting from the incorporation of gold nanozymes
X. Liu, N. P. Domingues, E. Oveisi, C. Coll-Satue, M. M. T. Jansman, B. Smit, and L. Hosta-Rigau, Metal–organic framework-based oxygen carriers with antioxidant activity resulting from the incorporation of gold nanozymes Biomater. Sci. (2023) doi: 10.1039/D2BM01405JAbstract: Blood transfusions are a life-saving procedure since they can preserve the body’s oxygen levels in patients suffering from (…)
CO2 photoreduction to CO on MOF-derived TiO2
M. Garvin, W. A. Thompson, J. Z. Y. Tan, S. Kampouri, C. P. Ireland, B. Smit, A. Brookfield, D. Collison, L. Negahdar, A. M. Beale, M. M. Maroto-Valer, R. D. McIntosh, and S. Garcia, Highly selective CO2 photoreduction to CO on MOF-derived TiO2 RSC Sustainability (2023) Doi: 10.1039/D2SU00082BAbstract Metal–Organic Framework (MOF)-derived TiO2, synthesised through the (…)