Johannes Kästner
@GroupKaestner
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Computational Chemistry prof. @Uni_Stuttgart, simulating reaction mechanisms, atom tunneling, #astrochemistry, #MachineLearning. @johanneskaestner.bsky.social
Stuttgart, Germany
Joined September 2020
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
Stereoselective ring opening metathesis polymerization (ROMP) of enantiomerically pure 2,3-dicarbomethoxynorborn-5-ene ((+)-DCMNBE) was accomplished by the action of cationic tetra- and pentacoordi...
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Thrilled to host @JWestermayr for a talk at our institute today! We look forward to intensive discussions.
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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
pubs.rsc.org
Supported single-site platinum hydride compounds are promising heterogeneous catalysts for organic transformations. Few methods exist to describe the structures of single-site Pt catalysts with...
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RT @ATLAS_CRC1667: To introduce you to ATLAS, we have put together an advent calendar. Each day we will present a sub-project. Look forward….
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RT @ATLAS_CRC1667: 2nd VLEO Symposium: 13.-14.1.2025 in Stuttgart hosted by ATLAS 🛰️. 👉Register for the symposium here: .
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Did you ever wonder how to combine electrochemistry and acid/base chemistry 🧪💻🔋? In we present a straight-forward way. Can be based on experimental or computational data. With @bpatrick170196, @LabHeinze, @SarkarAg. Thanks to @studienstiftung!.
chemistry-europe.onlinelibrary.wiley.com
We provide a theoretical basis for phase diagrams that show the stability of species under different availability of electrons and protons in coupled redox and acid/base chemistry. The diagrams can...
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RT @crc1333: 📸 from Day 2 & 3 at the International #Catalysis Networking Conference: Inspiring keynote by @Vy_Dong_Group, Welcome #CRC1633….
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RT @crc1333: #CRC1333 doctoral researcher Alexander Beck presented his research at the “European #Summerschool in Quantum Chemistry” last w….
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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 #stuttgartwissentrifftstadt
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RT @MoritzRSchfer1: Glad to see apax made it to the top 10 of the interatomic potential packages!.
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RT @jcdvm99: 📢 First PhD paper is out !! Proud to share our latest research: "Formation of the interstellar sugar precursor, (Z)-1,2-ethene….
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Looking forward to giving a lecture on astrochemistry 💫⚗️✨ at @JungChemiker Tübingen on Thursday afternoon: "Astrochemie: Moleküle zwischen Sternen"
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A big thanks to all speakers of this morning's session in #MOLEC2024 in the beautiful city of Aarhus, Denmark. An enjoyable meeting!.
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RT @silviaescayola: Thrilled to be recognized as a finalist and excited to present my PhD research at the #EYCA session in Dublin! @EuChemS….
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RT @crc1333: Many thanks to all who visited our #CRC1333 booth at the #TagderWissenschaft at #Unistuttgart. We had a lot of fun explaining….
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RT @Uni_Stuttgart: Im neuen #SFB @ATLAS_CRC1667 entwickeln Forschende der #UniStuttgart Satelliten für den niedrigen Erdorbit - ein unerfor….
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RT @ATLAS_CRC1667: Welcome to ATLAS, the new Collaborative Research Center 1667 of the University of Stuttgart and the Institute of Technic….
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Congratulations! Well done!.
We have a new doctor at the IQCC! We are really proud of @silviaescayola for completing a PhD under supervisión of @miquelsola @APoater and @eduardmatito. We wish her all the best in her professional future. @udgdoctorat @UdGRecerca @gentudg @DIMOCAT_iqcc
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