Category: News
Cover of Chem Rev
MOFs are made for big-data science: The neurons of artificial neural networks, representing the big-data approach to chemistry, become one with the framework of a metal-organic framework (figure by Alexander Tokarev) Ref: K. M. Jablonka, D. Ongari, S. M. Moosavi, and B. Smit, Big-Data Science in Porous Materials: Materials Genomics and Machine Learning Chem. Rev. (…)
Chemical Reviews: Machine learning and MOFs
The recent review of Kevin, Mohamad, and Daniele can be found here: K. M. Jablonka, D. Ongari, S. M. Moosavi, and B. Smit, Big-Data Science in Porous Materials: Materials Genomics and Machine Learning Chem Rev (2020) http://dx.doi.org/10.1021/acs.chemrev.0c00004
Andres’s work on the cover of Chem Mat
A porphyrin ruthenium-based photocatalytic active MOF is studied by ab initio calculations. Photoinduced electron transfer from the porphyrin to the ruthenium occurs upon light absorption, leading to charge separation. Ref: Chem. Mat. 32 (10), 4194 (2020) doi: 10.1021/acs.chemmater.0c00356
Article on CO2 capture in Nature
This has been a big effort of many people in LSMO. So proud of the work: P. G. Boyd, A. Chidambaram, E. García-Díez, C. P. Ireland, T. D. Daff, R. Bounds, A. Gładysiak, P. Schouwink, S. M. Moosavi, M. M. Maroto-Valer, J. A. Reimer, J. A. R. Navarro, T. K. Woo, S. Garcia, K. C. (…)
Sudi and Mohamad’s work on the cover of JACS
With the group of Wendy Queen’s group their calculations show how MOFs are stabilized by the addition of polymers. More details: L. Peng, S. Yang, S. Jawahery, S. M. Moosavi, A. J. Huckaba, M. Asgari, E. Oveisi, M. K. Nazeeruddin, B. Smit, and W. L. Queen, Preserving Porosity of Mesoporous Metal-Organic Frameworks through the Introduction (…)
Preserving Porosity in MOFs
Sudi and Mohamad contributed to a nice article in JACS of Li Peng of Wendy Queen’s group of EPFL. The article can be found here: doi: 10.1021/jacs.9b05967 Here are some of the press releases in: www.eurekalert.org www.sciencedaily.com
DePoly the first >>venture>> Grand Prize winner
DePoly, the LSMO team with Sam, Chris and Bardiya has won CHF150k at the >>venture>> award ceremony held yesterday at ETH Zurich. The team has developed a novel solution allowing the chemical recycling of PET plastic. More info here and here the article in the Nouvelliste
Amber and Senja’s work on the cover of J. Chem. Theory Comput.
Mace et al. present TuTraSt, a novel algorithm to predict self-diffusion of a mobile guest particle in a crystalline material. It detects the energies at which diffusion paths are formed, allowing for easy identification of diffusive systems, and furthermore partitions the potential energy field into energy basins and transitions states. This TUnnel and TRAnsition STate search algorithm permits a transition state theory (…)
Sam’s MOF nanoreactor in Nature Comm
Sam and Pete showed how a combined experimental and computational study can turn a MOF into a nanoreactor to make an impossible molecule. For more details see their article in Nat Comm here [su_posts order=”desc”]
LSMO in the Snow
The science had to wait a day !