New paper out in ACS Catalysis: Machine learning 💻🧪⚗️based on a combination of experimental data and DFT structures explains the stereoselectivity in ring-opening metathesis polymerization in joint work with the M.R. Buchmeiser group within @crc1333 | pubs.acs.org/doi/10.1021/ac…
Johannes Kästner
@GroupKaestner
Computational Chemistry prof. @Uni_Stuttgart, simulating reaction mechanisms, atom tunneling, #astrochemistry, #MachineLearning. @johanneskaestner.bsky.social
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Thrilled to host @JWestermayr for a talk at our institute today! We look forward to intensive discussions.
Experimental characterization of single-site platinum catalysts is tricky. @esteslab and @aaronrossini used solid-state NMR for 1H, 31P, and 195Pt - we contributed DFT results 🧪💻to understand immobilized platinum hydrides. @crc1333 See: @ChemicalScience doi.org/10.1039/D4SC06…
Did you ever wonder how to combine electrochemistry and acid/base chemistry 🧪💻🔋? In doi.org/10.1002/celc.2… we present a straight-forward way. Can be based on experimental or computational data. With @bpatrick170196, @LabHeinze, @SarkarAg. Thanks to @studienstiftung!
What can I say? I realize that being an actor is not so easy ;-)
A glimpse behind the scenes of day 1 &2 of the filming for our #CRC1333 #scienceexhibition - stay tuned for more info! #catalysis #sfb1333 #stuttgartwissentrifftstadtView quoted post on X