🤔 Ah. Und die Kölner hatten schon 800 Jahre eher eine sinnvolle Zivilisation ... ?

Hab ich übrigens schon immer so gemacht.

Ich dachte, die ersten zwei sind einfach die fränkischen Grundregeln? Eine davon gilt immer.

Great and thank you! Yes, we will send out the link before the event! All the best!

HybriD3 The HybriD3 project accelerates the Design, Discovery and Dissemination (D3) of new crystalline organic-inorganic hybrid semiconductors in a collaborative effort between six teams of researchers locat...

For those interested in #perovskites, we will be holding a webinar on our Hybrid^3 database, hybrid3.duke.edu, of hybrid organic-inorganic semiconductors on April 23. Please register for the zoom link and please repost. Thank you!

Ok, I checked. The Role of Carbon Sources in the Formation of Carbonate-Based Zeolitic Imidazolate Framework Protein Biocomposites. Highly inflammatory.

I had no talent for art and can't post frequently enough. So hopefully I'm the local academic.

🎉

@fhi-aims.bsky.social released a new major release - version 260331.

fhi-aims.org/news

Will still be true tomorrow - thank you to everyone who worked on this so hard!

Now live at the APS DCOMP Executive Committee meeting in Denver, APS Global Physics Summit. So nice to see everyone in person. Can't tag #compchemsky with this, I guess. ;)

How the twist of a molecule affects electron spin Since the discovery was first reported in 1999, researchers have uncovered many aspects of the chiral-induced spin selectivity effect, but its underlying mechanisms remain unclear.

In 1999, researchers found that certain organic molecules preferentially transmit electrons with a particular spin orientation. Many experiments have followed, but the physics underlying the chiral-induced spin selectivity effect remains mysterious. #physics #chirality

For chemistry and physics majors, Duke Mechanical Engineering and Materials Science would like to say that our Master's programs are for them, too. Please share with anyone who might be interested. (And yes, we really do care about our Master's students.)

📜 Treasures from the archive

To celebrate 100 years of Schrödinger’s equation, the Faculty of Physics is sharing archival documents connected to Erwin Schrödinger and the beginnings of quantum mechanics.

More materials throughout the year:
schroedinger100.univie.ac.at/treasures-fr...

Come work with my colleagues at Curtin! New postdoc opportunity modelling leaching of precious metals with glycine, a challenging intersection of a lot of chemical problems - particularly for computational chemistry!
staff.curtin.edu.au/job-vacancie...

#chemsky #compchemsky

Here we are with the next Developers' and Users' Meeting for FHI-aims!

Yes. What I mean is, by and large +-10% in terms of temperature, without having looked up the detailed tables. Well, ok, now I went back and checked doi.org/10.1126/scie.... A bit narrower than +-10% even. For a fluctuating system, that is still absolutely remarkable I think.

Somehow incredible that we've had a reasonably stable environment for this unimaginably long period of time.

@fhi-aims.bsky.social

Apologies to anyone I left out. Thank you so much for sharing!

Thank you! Fantastic. Yes, that is very interesting - I'm very happy to see this! I also think we can do more over time, like with so many things we are or should be pushing forward. But this here is a testament to the determined, excellent, hard work of William Huhn and Victor Wen-zhe Yu.

This would help a lot!

Thank you so much, again! That's even better! Looking forward to the next updates!

Reposting since I was really happy to see this. Thanks to everyone at @fhi-aims.bsky.social , too!

Dear Henrique, that is excellent! 🎉 THANK YOU (really brightened my day). I am sure that's also true for the broader @fhi-aims.bsky.social .

GPU - James Green just led an overhaul of our build tutorial fhi-aims-club.gitlab.io/tutorials/cm... - I'm sure he'll be delighted, too.

😊 Ok, so longer than 22 minutes? (Francium half life - or did I miss one in my search?)

Also, would be very interesting to get the other ones to converge. These are obviously a bit tough (multireference) but interesting nevertheless ...

Very impressive work by @labcosmo.bsky.social , @mahrossi.bsky.social and many others. And truly happy to see this:

"All calculations were performed with FHI-aims
(version 250806), an all-electron, numeric atom-centered
orbital (NAO) electronic-structure code"

Thank you!

Not so easy to ignore the first part either ...

Deeply, deeply sorry to see this.

I am shocked and incredibly sorry to hear that. I had no idea. I will be thinking about this quietly for a while. What an incredible, sudden, deep loss. So sorry!

(those dimers will grow up to become real materials real soon)

... but also that the Kohn-Sham DFT step (single reference auxiliary wave function) and its implications should not be forgotten when using standard, approximate DFT functionals. "Strong correlation" and the problems of DFT with it becomes much clearer if one just remembers that single reference.