Michelle Ernst

Quickstep to the Future, 25 Years of CP2K Event Timing: June 17-19, 2026 Event Address: IBM Research Zurich, Säumerstrasse 4, CH-8803 Rüschlikon, Swizerland Contact us at marcella.iannuzzi@chem.uzh.ch Registrations are open until April 15th ...

Happy to announce the conference “Quickstep to the Future: Celebrating 25 Years of CP2K.” The meeting will take place at IBM Research in Zurich, Switzerland, from 17-19 June 2026.

More info:
www.cp2k.org/news:common:...

Fragment to framework: automatic fragmentation of covalent organic frameworks into building blocks for band gap analysis Understanding structure–property relationships in ordered functional materials is essential for their rational design and optimisation. Fragment-based approaches relating materials’ properties to thos...

DeCOFpose is an automatic #fragmentation tool for covalent organic #frameworks - whether you want to analyse, fragment, or reconstruct them! Great work with @chemwedding.bsky.social and @michelle-ernst.bsky.social pubs.rsc.org/en/content/a...

actionuni.ch/action-day-o...

"From 2026, the Swiss Federal Council plans to slash federal contributions by 460 million francs per year in universities, the ETH domain, universities of applied sciences, and funding bodies such as the SNSF.
We urge politicians to reconsider these cuts."

Translated by a mineralogist?

Vote in Round 1 Match 15 — Mineral Cup Click here to vote in Taenite vs Nontronite Photo credits: Harold Moritz and Joan Garcia Santiago

#MinCup25 Round 1 Match 15 - It's a mineral found mostly in the farthest reaches of space vs one so common an exhaustive list of localities is nigh impossible as alloy #taenite faces off against clay #nontronite.

Vote: www.mineralcup.org/2025/vote/r1...
Results: www.mineralcup.org/2025/results...

What a beautiful day. Enjoy the sun and then join us at the Night of the Research @unibe.ch @geologyunibern.bsky.social
Check out the program under: www.nachtderforschung.unibe.ch; it looks amazing!

Nacht der Forschung 2025 Die «Nacht der Forschung» ist ein «Fest des Wissens und der Forschung», bei dem die Universität Bern die Vielfalt und Breite ihrer Forschung der Öffentlichkeit näherbringt.

Am Sa, 6.9.25 öffnet @unibe.ch ihre Türen – Forschung live erleben!
Wir sind auch dort, mit Mikroskopen, Pflanzen und Origami-Mikroskopen zum selber basteln - im Hauptgebäude im 2. Stock, Raum 206/208 - mein Vortrag um 17.00 und um 20.30 im Raum 205 🌾🔬🌵
👉 unibe.ch/ndf
#ndfunibern

Excited to be in Poznań for #ECM35. Would have also loved to go to Lviv as originally planned. 🇺🇦
Interested in COFs? I'd be happy to see you at my talk on Wednesday.

Structural adaptation in a cadmium-porphyrin MOF through solvent-driven change of interpenetration Cadmium–porphyrin metal–organic frameworks combine the structural rigidity of the porphyrin core with the coordination flexibility of closed-shell Cd²⁺ centres, enabling diverse framework topologies a...

Happy to share the 6th common paper with my long-term collaborator and friend, Tomasz Poręba!
chemrxiv.org/engage/chemr...

Scientists no Longer Find Twitter Professionally Useful, and have Switched to Bluesky Synopsis. Social media has become widely used by the scientific community for a variety of professional uses, including networking and public outreach. For

Hey everybody! @drjuliawester.bsky.social and I have a new paper!

We surveyed over 800 scientists, science communicators, and science educators who use social media.

Conclusion: Scientists no longer find Twitter useful or pleasant, and many have switched to Bluesky! 🧪🌎🦑

doi.org/10.1093/icb/...

Journal Impact Nonsense

Journal Impact Nonsense | Science | AAAS www.science.org/content/blog...

An accurate and efficient framework for modelling the surface chemistry of ionic materials - Nature Chemistry Simulating molecular adsorption on surfaces presents considerable challenges, as computational methods typically suffer from either insufficient accuracy or prohibitive computational costs. Now, with ...

Congrats to @benshi.bsky.social on this new work now out in Nature Chemistry! Beyond-DFT results without breaking the bank. 💪

www.nature.com/articles/s41...

Springer Nature Discovers MDPI – The Strain on Scientific Publishing Home page for the paper ‘The Strain on Scientific Publishing’ by Mark A Hanson, Dan Brockington, Paolo Crosetto and Pablo Gomez Barreiro

Springer-Nature launched a series of "Discover" journals that closely mimic MDPI titles -- sharing *identical* journal names, and likely similar business model.

What is going on, and why researcher will - as always - fall for it?

A 🧵

the-strain-on-scientific-publishing.github.io/website/post...

@esivienna.bsky.social is proud to announce that the ESI Medal 2025 goes to Prof. Michele Parrinello (ETH Zürich & IIT Genova) for his groundbreaking computer simulation algorithms that advanced condensed matter physics, chemistry & biology.
Ceremony: Nov 7, 2025, Vienna
More: www.esi.ac.at/news/n65

Extensive band gap tunability in covalent organic frameworks via metal intercalation and high pressure Covalent organic frameworks (COFs) are materials of growing interest for electronic applications due to their tunable structures, chemical stability, and layered architec- tures that support extended ...

Another COF preprint:
doi.org/10.26434/che...

Fragment to Framework: Bottom-Up Engineering of Band Gaps in Covalent Organic Frameworks Understanding structure-property relationships in ordered functional materials is essential for their rational design and optimisation. Fragment-based approaches relating materials’ properties to thos...

Fragmenting and analysing COFs - preprint out: doi.org/10.26434/che...

Came to Birmingham to give a talk on reactions in confinement and catch up with my former supervisor @grynova.bsky.social — and ended up being treated to a proper British Christmas dinner.

Excited to attend the SCS Symposium on "Critical Use of AI in Chemistry" at my Alma Mater in Fribourg. Perfect occasion for my first Bluesky post. #ChemSky #compchem #CompChemSky