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Simon Krause

@simonkrause.bsky.social
703 followers 510 following 143 posts

Interested in dynamics of materials on any scale, especially in porous materials #MOFs. Professor for inorganic chemistry at @Uni_ulm simonkrause-chem.de

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Simon Krause @simonkrause.bsky.social · 17/09/2026
We explore how to finetune the response of Zr-based Hashtag#MOFs towards hydrostatic pressure by linker mixing and are able to establish critical structure-property relationships that can build the basis for many more such systems.
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Simon Krause @simonkrause.bsky.social · 17/09/2026
Exciting work coordinated by Ardeshir Dadgar Yeganeh in a collaboration with the groups of Gregor Kieslich, Evelyn Ploetz, and Veronique Van Speybroeck and team members Sebastian Hallweger Jonas Tittel, Wim Temmerman, and Shun Tokuda.
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Simon Krause @simonkrause.bsky.social · 17/09/2026
Our newest paper on "Fine-Tuning the Pressure Response and Mechanical Properties of Azobenzene- and Stilbene-Based Zr-Metal–Organic Frameworks through Multivariate Design" is out in ACS Materials Letters. pubs.acs.org/amlcef/artic...
pubs.acs.org
Fine-Tuning the Pressure Response and Mechanical Properties of Azobenzene- and Stilbene-Based Zr-Metal–Organic Frameworks through Multivariate Design
AbstractThe rich chemistry of molecular framework materials enables precise control of physico-chemical properties through structural design of framework t
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Simon Krause @simonkrause.bsky.social · 20/08/2026
Thrilled for @esengulciftci.bsky.social for this achievement #MerckInnovationCup and certainly a good opportunity to explore the feeling of R&D in industry. Well done @merckgroup.bsky.social
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Reposted by Simon Krause
Frederik Haase @frederikhaase.bsky.social · 13/08/2026
What is the molecule's point of view when it enters the pore of a COF? In a collaboration with the Hinderberger group we looked at the pore environments using EPR with spin probes. doi.org/10.1002/smll...
doi.org
Characterization of the Pore Environments in Covalent Organic Frameworks by Dynamic Spin Probe Exchange
Covalent organic frameworks (COFs) with alkyl or triethylene glycol pore linings are probed with water-dissolved nitroxide radicals using CW EPR spectroscopy. Adsorption affinity, local polarity, and...
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Simon Krause @simonkrause.bsky.social · 13/08/2026
Nice work - very exciting results and a cool approach! congrats to the whole team!
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Simon Krause @simonkrause.bsky.social · 13/08/2026
We also provide a solution - by reducing the number of functional side-groups we are able to restore large portions of the molecular transport while maintaining catalytic activity!
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Simon Krause @simonkrause.bsky.social · 13/08/2026
We tackled this question on a series of model compounds by MD simulations and PFG NMR experiments. To make a long story short: If you attached active sidegroups to your pore surface you may suffer up to 95% decrease in molecular transport inside the pore network - your products might even get stuck.
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Simon Krause @simonkrause.bsky.social · 13/08/2026
We asked a fundamental question: How does pore functionalization impact the molecular transport in nanoporous MOFs? This question is particularly critical for any process that involves catalytic transformations inside a particle and thus a core topic in @crc1333.bsky.social .
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Simon Krause @simonkrause.bsky.social · 13/08/2026
Our first dive into PFG NMR to analyse molecular transport in MOFs. Fantastic collaboration with Kristyna, Sofia and Hassan et al. pubs.acs.org/jpccck/artic...
pubs.acs.org
Impact of Catalyst Functionalization, Framework Defects, and Guest Loading on Nitrobenzene Diffusivity in Zr-Based Metal–Organic Framework UiO-67 Investigated by Molecular Dynamics and PFG-NMR
Abstract. Molecular diffusion in metal–organic frameworks (MOFs) is a key factor controlling their performance in catalysis, gas storage and separation, se
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Simon Krause @simonkrause.bsky.social · 13/08/2026
Be my colleague at @uniulm.bsky.social - We offer strong facilities, an exciting research environment, and a perspective to a permanent position. You are an organic (materials) chemist, work on automation, and/or energy science? Reach out and apply stellenangebote.uni-ulm.de/jobposting/d...
stellenangebote.uni-ulm.de
Junior Professorship (W1-Professur) for Organic Chemistry -with Tenure Track (m/f/d) - reference no. 26112
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Simon Krause @simonkrause.bsky.social · 13/08/2026
Multi-exposure photograph of the solar eclipse on 5x7 gelatin glass dry plates with a 1900 camera. Slight wiggle of the tripod for the second shot but overall a quite nice result. #eclipse
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Simon Krause @simonkrause.bsky.social · 18/07/2026
Fantastic Celebration of the 2026 graduates from @uniulm.bsky.social in front of the Münster. Thrilled that we could send them off with a proper performance of the Prof-isorium choir and a unique look from behind the stage. If you are keen to throw your hat some day join us in Ulm! #Schwörwochenende
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Simon Krause @simonkrause.bsky.social · 15/07/2026
Last Week Janine Richter visited @uniulm.bsky.social and gave a fabulous talk on (semi)automated battery research. We had a fantastic time checking out research activities at POLiS and of course also taking a picture with traditional dry plate made from silver and sun!
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Simon Krause @simonkrause.bsky.social · 11/07/2026
I am sure this was an outstanding experience and the whole group is excited for @krisgjorgjevikj.bsky.social to have attended the 75th #LindauMeeting.
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Simon Krause @simonkrause.bsky.social · 28/06/2026
Not sure what to do with all the heat and tired of football? Give Box Lacrosse a try and watch the highly anticipated game of the 2026 European Championships of Ger against Cz tonight for free: www.youtube.com/watch?v=Dvuq...
youtube.com
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Simon Krause @simonkrause.bsky.social · 26/06/2026
I look forward to many more years following Kevin's science in and outside the lag and hopefully the chance to collaborate!
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Simon Krause @simonkrause.bsky.social · 26/06/2026
Yesterday we hosted @kjablonka.com at @uniulm.bsky.social and had a fantastic time! Besides discussing AI in Chemistry and MOFs he got his dry plate photo 📸 taken and a salt print made. His talk was amazing with many capabilities and limitations of existing LLMs for Chem. Goode bye IonenLotto...
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Simon Krause @simonkrause.bsky.social · 23/06/2026
Last week the one an only @furukawas.bsky.social visited @uniulm.bsky.social and gave a fantastic talk on cages, MOFs, and anything in-between. We got a bit confined in our discussions on dynamic frameworks and started a new tradition - Guest Portrait on dry plates with historical camera.
Historical dry plate photo held by Shuhei who is also imaged on the photo
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Simon Krause @simonkrause.bsky.social · 09/06/2026
Cool. I will check with CCDC. feel free to send me the cif via DM or email.
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Simon Krause @simonkrause.bsky.social · 09/06/2026
Please check if it matches our recently reported structure: onlinelibrary.wiley.com/doi/full/10.... - this is only the third time someone reports on MIL-88A SCXRD data and the synthesis procedures strongly impact its actual structure.
onlinelibrary.wiley.com
Elucidating the Structure and the Impact of Synthesis Methods on the Flexibility of the Metal‐Organic Framework MIL‐88 A (Fe) During Water Capture
MIL−88 A is first described in 2004 and consists of a trinuclear iron cluster and fumaric acid as a linker, forming a porous structure. The flexibility of MIL−88 A upon uptake of water, with an expan...
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Simon Krause @simonkrause.bsky.social · 01/06/2026
Thrilled we could contribute to this work with some Raman analysis by @krisgjorgjevikj.bsky.social (although there is not much to see in the THz regions...). Congrats to Robert and Lucas!
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Simon Krause @simonkrause.bsky.social · 10/05/2026
See our first work in context of Research Data Management. Thanks for the nice collaboration in the @crc1333.bsky.social consortium and to @esengulciftci.bsky.social for her efforts in reproducible MOF synthesis.
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Reposted by Simon Krause
Kenichi Endo @kenichiendo.bsky.social · 10/05/2026
New paper out! Have you ever been irritated by enigmatic paragraphs of a MOF synthesis procedure or had difficulties in preparing a clean data set for machine learning? We demonstrated efficient data management of MOF synthesis data using JSON schema tools. pubs.acs.org/doi/10.1021/...
pubs.acs.org
Data Management and Analysis of Metal–Organic Framework Synthesis Using Data Models
The successful synthesis of metal–organic frameworks (MOFs) in high yield and purity critically depends on the details of the procedure. Therefore, the machine-readable as well as findable, accessible...
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Simon Krause @simonkrause.bsky.social · 09/05/2026
Last night we participated at the Long night of science at @uniulm.bsky.social. We demonstrated a view of the world in UV light and did some 19th century #dryplate photographs with gear from that time. This was fun and we will be back!
Scientist holds up Glas Plate with photo
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Simon Krause @simonkrause.bsky.social · 05/05/2026
Had a great few days in Dresden at the #COPS conference discussing porous Materials and more. Happy to also present our THz Raman work on MOFs. See you soon Dresden!
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Simon Krause @simonkrause.bsky.social · 05/05/2026
Congrats. Super nice Work!
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Simon Krause @simonkrause.bsky.social · 23/04/2026
The past 2 days at HannoverMesse were a fun experience with lots of networking and good discussions. Thanks to the whole CELEST Team!
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Simon Krause @simonkrause.bsky.social · 22/04/2026
Representing the EES Academy at the HannoverMesse today. Huge IS all I can say. Fun experience. Maybe coming Back with more time.
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Simon Krause @simonkrause.bsky.social · 20/04/2026
Thrilled to participate with a booth and talk and look forward to inspire the public and future students!
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Simon Krause @simonkrause.bsky.social · 07/04/2026
time to rewatch resident evil?
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Simon Krause @simonkrause.bsky.social · 07/04/2026
Check out our new @chemrxiv.org preprint on Fine-Tuning Mechanical Properties in Multivariate MOFs. Great collaboration with @evelyn-ploetz.bsky.social, G. Kieslich, V. van Speybroeck et al. - congrats to Ardi for his second paper! chemrxiv.org/doi/full/10....
chemrxiv.org
Fine-Tuning the Pressure Response and Mechanical Properties of Azobenzene‑ and Stilbene‑Based Zr‑Metal-Organic Frameworks Through Multivariate Design | ChemRxiv
The rich chemistry of molecular framework materials allows for precise control of physicochemical properties by structural design of the framework topology and the underlying building blocks. In this contribution, we demonstrate for the first time the ...
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Simon Krause @simonkrause.bsky.social · 07/03/2026
The #WinterParalympics and #Paraathletes in general are a true inspiration and testament of ambition and joy of life! The passion and skill are just mind-blowing. It should be the prime sporting event in the calendar! Good luck to all competing and I hope the attention will shift to the athletes.
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Simon Krause @simonkrause.bsky.social · 02/03/2026
Thanks for supporting the Event!
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Simon Krause @simonkrause.bsky.social · 28/02/2026
Thanks for joining!
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Simon Krause @simonkrause.bsky.social · 27/02/2026
Great Talk and poster! Thanks for participating.
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Simon Krause @simonkrause.bsky.social · 27/02/2026
The 37. German Zeolite conference in Stuttgart @mpifkf.bsky.social that we co-organized with @lotschgroup.bsky.social and Mika Linden @uniulm.bsky.social just ended. Thanks to the Team and DECHEMA. This was fun! See you all next year in Leipzig.
A tired Organizer pointing at a poster.
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Simon Krause @simonkrause.bsky.social · 26/02/2026
We are glad to have you 🙂‍↕️
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Simon Krause @simonkrause.bsky.social · 20/02/2026
Fare Well Party for @stecanossa.bsky.social in Stuttgart with @kenichiendo.bsky.social and @lotschgroup.bsky.social. Another good reason to visit Korea but you will be missed!!
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Simon Krause @simonkrause.bsky.social · 17/02/2026
Magnesiumacetate
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Simon Krause @simonkrause.bsky.social · 17/02/2026
Wrong URL unless you Guys really probed Mammalian Thalamus
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Reposted by Simon Krause
Momentum Transfer @momentum-transfer.com · 16/02/2026
Don't forget that on Thursday 2pm CET, we are hosting a short webinar to present our new search match tool for phase identification using XRPD. The tool will be online (no download) and free to use on app.momentum-transfer.com Register for the webinar here: my.demio.com/ref/MXHJ3rGX...
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Simon Krause @simonkrause.bsky.social · 10/02/2026
First Dive into more systematic Data Handling greatly driven by @kenichiendo.bsky.social and Jürgen Pleiss from @crc1333.bsky.social ! Wont be the Last Time we visit Research Data Management.
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Simon Krause @simonkrause.bsky.social · 06/02/2026
Very interesting event and great to see the different facets and the people behind them at @uniulm.bsky.social
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Simon Krause @simonkrause.bsky.social · 03/02/2026
What a pleasure to attend the reception of newly admitted Profs in Stuttgart with @kenichiendo.bsky.social. Both of us left last year from @mpifkf.bsky.social from our new positions @uniulm.bsky.social and @unistuttgart.bsky.social. was a fun Event with a fantastic program #NerdLänd
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Simon Krause @simonkrause.bsky.social · 28/01/2026
Congratulations and so well deserved!
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Simon Krause @simonkrause.bsky.social · 21/01/2026
It was a pleasure to give my inauguration lecture @uniulm.bsky.social as part of the new years reception. Glad to be part of this institution and thrilled for the coming years.... Thanks for all the support By so many friends and family.
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Simon Krause @simonkrause.bsky.social · 19/01/2026
Fantastic evening at the CZSvorOrt @carlzeissstiftung.bsky.social Event in Stuttgart. Great networking and fantastic program. Privileged to be supported By such a fantastic Organisation.
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Simon Krause @simonkrause.bsky.social · 04/01/2026
Starting the year with a nice hike through the snowy black forrest! Away from what else ist going on in this world... Happy 2026 to everyone!
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Simon Krause @simonkrause.bsky.social · 03/01/2026
I see genius when I ready this! 150 is indeed enough.
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