New in @pubs.acs.org Nano: Scientists around @mahrossi.bsky.social from @mpsdhamburg.bsky.social / @mpip-mainz.mpg.de have shown a new method to enhace Tip-Enhanced Raman Images by applying first-principle calculations. The new method will enhance the quality of TERS images as a nanoscale probe.

We even sang Happy Birthday! 🎂🥂 www.esi.ac.at/events/e596/ @esivienna.bsky.social @univie-physik.bsky.social @univie.ac.at

Yesterday we kicked off “The World in One Line – Schrödinger’s Equation Turns 100” and yes, there was cake 🎂 We even sang Happy Birthday! 🥳 🎥 Missed it? Talks are available here: www.youtube.com/playlist?lis...

I wonder if I should post more routinely that we do have monthly video meetings for anyone in the @fhi-aims.bsky.social community. The next one is tomorrow, Nov 12, 8:30 am EST. Time and coordinates are routinely posted in the Slack workspace. #compchemsky (in case any FHI-aims users are there)

For anyone near the Research Triangle (North Carolina): The groups of Yosuke Kanai and ours will be organizing a Theory Training Workshop - primarily intended for incoming graduate students or postdoc but open to anyone (subject to capacity): hybrid3.duke.edu/workshops/20... #chemsky #compchemsky

Super visit of Alexandre this week with good weather for an evening with the group at Elbstrand!

Psi-k conference #psik2025 is the place to be this week!!

We got to see how ("quasi"-)single hydrogen and deuterium molecules vibrate and how incredibly sensitive these vibrations are to perturbations of their local environment. A beautiful story of nuclear motion, quantum effects and impressive spatial resolution for vibrational spectroscopy.

And it all ended with a perfect stay at Palo Alto, visiting Stanford, being hosted by Tom Markland and his group, and getting to know all that is going on in the group of Felipe da Jornada. Exciting stuff!!

Seeing the Berkeley campus for the first time was great! Forgot to take a photo with @limmerlab.bsky.social and @chengbingqing.bsky.social because we had such a good time. Got a bonus tour of the molecular foundry with Archana Raja (not in bsky?). Really great!

Stunning time visiting Duke University and UNC this week. Ready for the next part of the US tour!

First stop: Durham, NC!

#compchem and it is out!

#chemsky #compchem #ml

#chemsky #compchem #quantum

#compchem #quantum

#compchem #machinelearning #ml #chemsky

#compchem #machinelearning

The recordings of our recent FHI-aims webinar and hands-on session are now online: youtube.com/playlist?lis... Thank you to our great speakers, Mariana Rossi (@mahrossi.bsky.social) and Alexandre Tkatchenko, as well as everyone who joined and participated in the lively Q&A and hands-on session!

Snow in Hamburg is always nice :-)

Happy 2025!!!

Foggy lane

A very happy Christmas to everyone!

Starting the Xmas journey. One flight cancelled, a new super short connection, and luggage check in with mega anxiety moments. The whole family still together though :-)

It is Xmas in our little piece of Hamburg :-)

This is a fun platform, so far.

Hello everyone 👋 We are CECAM, the European Center for Atomic and Molecular Calculations, based on the EPFL campus in Switzerland. Our aim is to foster fundamental research on computational science for societal benefit. Discover more about us and our activities on our website: www.cecam.org

Uhh little circles! skircle.me

End of work and fun trip to Berlin with my sister who came to visit all the way from 🇧🇷

Long journey for this grant. An incredible feeling of happiness and relief. Looking forward to everything we will do in the coming years! @maxplanck.bsky.social

We are hiring (resharing appreciated)! Given recent successful grant applications (I got my SNSF Starting Grant 🚀), we are extending the LIAC team with multiple openings (PhD/postdoc) for 2025. Apply now (deadline: December 20th) by filling in this form: forms.fillout.com/t/eq5ADAw3kkus. #ChemSky

Went to a work commitment in Berlin, just for the day. Got up at 4:30, was there bright and early. Tried to take an early train to be home for dinner. Someone jumped in front of the train in the middle of nowhere. Possible evacuation in the cold and no ETA in the horizon.

Super proud of this group!

A bit of sun coming back to Hamburg after an inspiring retreat in Lüneburg!

I am a computational physicist or chemist (can’t tell!). I started my life in wonderful Brazil 🇧🇷and after 24 formative years, departed to the European north. After a PhD and some post docs, I am now an independent researcher leading a group (@sabia-group.bsky.social) at MPSD in Hamburg.

So many key developments represented here!

What is this invalid handle all about?

Science posts now also moving here!

In Berlin for the #dpg spring meeting - beautiful view!

Forgot to add 🧪 and #chemsky ...

eSIMs made my traveling life so much easier! Fully recommend.

Job alert❗: Interested in research and teaching in artificial intelligence in chemistry 💻⚗️🧪? An opening for a PhD student 👨‍🎓👩‍🎓within the Artificial Intelligence Software Academy in our group will be coming soon. www.aisa.uni-stuttgart.de

I know I should start using this platform for more academic related topics, but cat pics can be very popular too, so here is one for tonight!

Hello 👋🏻. Took a long break from hanging out here but I was busy changing jobs twice in the past 4 months. Anyhow, after 15 wonderful years at WILEY it's time for a new adventure. I've joined AIPP to lead their portfolio strategy team.... which put in charge among other things of *giggle giggle* JCP

Actually interesting

I am sure that @fhi-aims.bsky.social will announce it in a bit, but look at the mega event going on in August in Berlin!! indico.ms1p.org/event/1/ -- early bird deadline for participants on March 1st!

Got back to Greysky yesterday

Wir haben übrigens ein paar Invite-Codes zu vergeben. Falls jemand jemanden kennt, der einen Code braucht: bitte melden (hier oder bei [email protected]) (Foto: pcdazero/Pixabay)

There is a new FHI-aims release: FHI-aims 231212! This reflects a major effort by many individuals and we're very proud of this accomplishment. Please spread the word. Thank you to everyone who contributed! fhi-aims.org/uploads/docu...