Simon Krause
@simonkrause.bsky.social
Interested in dynamics of materials on any scale, especially in porous materials #MOFs. Professor for inorganic chemistry at @Uni_ulm
https://simonkrause-chem.de
https://simonkrause-chem.de
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...
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
pubs.acs.org
September 17, 2026 at 8:06 AM
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...
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
Proud to be part of the 1st Runner-Up team at the Merck Innovation Cup 2026 with Advanced Electronic Materials! An intense, inspiring week of science, innovation, and teamwork. Grateful for the experience and everyone who made it possible! #MerckInnovationCup #MaterialsScience #Innovation
August 20, 2026 at 3:24 PM
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
Reposted by Simon Krause
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/10.1002/smll...
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...
doi.org
August 13, 2026 at 1:37 PM
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/10.1002/smll...
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...
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
pubs.acs.org
August 13, 2026 at 1:45 PM
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...
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...
Junior Professorship (W1-Professur) for Organic Chemistry -with Tenure Track (m/f/d) - reference no. 26112
stellenangebote.uni-ulm.de
August 13, 2026 at 1:09 PM
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...
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
August 13, 2026 at 11:20 AM
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
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
July 18, 2026 at 7:56 AM
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
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!
July 15, 2026 at 9:33 PM
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!
I am sure this was an outstanding experience and the whole group is excited for @krisgjorgjevikj.bsky.social to have attended the 75th #LindauMeeting.
It took a few days to go through all of the pictures and let all the emotions settle..
I recently had the incredible oportunity to join a truly fascinating event, the jubilee 75th Lindau Nobel Laureate meeting.
#LindauMeeting #LINO75 #WomenInSTEM
I recently had the incredible oportunity to join a truly fascinating event, the jubilee 75th Lindau Nobel Laureate meeting.
#LindauMeeting #LINO75 #WomenInSTEM
July 11, 2026 at 10:15 PM
I am sure this was an outstanding experience and the whole group is excited for @krisgjorgjevikj.bsky.social to have attended the 75th #LindauMeeting.
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...
www.youtube.com
June 28, 2026 at 5:21 AM
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...
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...
June 26, 2026 at 5:57 PM
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...
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.
June 23, 2026 at 12:37 PM
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.
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!
Our new Hot Paper 🔥 is out in @angewandtechemie.bsky.social: co-first authors Lucas G. Balzat and Robert Calaminus use #BayesianOptimization to boost Li7SiPS8 ionic conductivity while lowering synthesis temperature and time. #SolidElectrolytes doi.org/10.1002/anie...
Optimize Before You Synthesize—Enhancing the Ionic Conductivity of Li7SiPS8 Using Bayesian Optimization
Bayesian optimization was used to optimize the synthesis parameters of the solid electrolyte Li7SiPS8$\mathrm {Li}_7\mathrm {SiPS}_8$ in order to increase the ionic conductivity. After only 32 iterat...
doi.org
June 1, 2026 at 6:15 PM
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!
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.
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/doi/10.1021/...
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...
pubs.acs.org
May 10, 2026 at 9:01 AM
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.
Reposted by Simon Krause
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/doi/10.1021/...
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...
pubs.acs.org
May 10, 2026 at 8:51 AM
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/doi/10.1021/...
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!
May 9, 2026 at 6:01 AM
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!
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!
May 5, 2026 at 3:51 PM
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!
The past 2 days at HannoverMesse were a fun experience with lots of networking and good discussions. Thanks to the whole CELEST Team!
April 23, 2026 at 3:34 PM
The past 2 days at HannoverMesse were a fun experience with lots of networking and good discussions. Thanks to the whole CELEST Team!
Representing the EES Academy at the HannoverMesse today. Huge IS all I can say. Fun experience. Maybe coming Back with more time.
April 22, 2026 at 11:35 AM
Representing the EES Academy at the HannoverMesse today. Huge IS all I can say. Fun experience. Maybe coming Back with more time.
Thrilled to participate with a booth and talk and look forward to inspire the public and future students!
Langer Abend der Wissenschaft - M4Night der Mathematik und Wirtschaftswissenschaften
Erlebt am Freitag, 8. Mai von 16:00 bis 20:00 Uhr, an der #uulm Wissenschaft hautnah, schnuppert Campusluft und führt selbst Experimente durch. www.uni-ulm.de/lawi *stg
Erlebt am Freitag, 8. Mai von 16:00 bis 20:00 Uhr, an der #uulm Wissenschaft hautnah, schnuppert Campusluft und führt selbst Experimente durch. www.uni-ulm.de/lawi *stg
April 20, 2026 at 6:41 PM
Thrilled to participate with a booth and talk and look forward to inspire the public and future students!
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....
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 ...
chemrxiv.org
April 7, 2026 at 8:13 AM
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....
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.
March 7, 2026 at 10:43 AM
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.
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.
February 27, 2026 at 1:19 PM
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.
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!!
February 20, 2026 at 8:41 PM
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!!
Reposted by Simon Krause
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...
Register for the webinar here:
my.demio.com/ref/MXHJ3rGX...
February 16, 2026 at 11:21 PM
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...
Register for the webinar here:
my.demio.com/ref/MXHJ3rGX...