Buuut PBE converged more than r2scan and I think the test would be of better grids also lead to better r2scan convergence! Saw som evidence that needs to be confirmed.
03.03.2026 17:34 — 👍 1 🔁 0 💬 0 📌 0Buuut PBE converged more than r2scan and I think the test would be of better grids also lead to better r2scan convergence! Saw som evidence that needs to be confirmed.
03.03.2026 17:34 — 👍 1 🔁 0 💬 0 📌 0
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)
I am already nervous but hope everyone comes to see it!
05.11.2025 15:31 — 👍 1 🔁 0 💬 0 📌 0
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!
06.09.2025 15:38 — 👍 1 🔁 1 💬 0 📌 0
Psi-k conference #psik2025 is the place to be this week!!
28.08.2025 13:16 — 👍 8 🔁 1 💬 0 📌 0
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.
21.05.2025 17:58 — 👍 1 🔁 0 💬 0 📌 1An incredible leadership effort on your part Volker! Happy to have contributed for more than a decade :-)
03.05.2025 05:07 — 👍 3 🔁 0 💬 0 📌 0Forgot to edit my finger out of a photo. Ohhh well!
07.04.2025 19:31 — 👍 0 🔁 0 💬 1 📌 0
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!!
07.04.2025 19:30 — 👍 6 🔁 1 💬 1 📌 0
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!
03.04.2025 13:50 — 👍 4 🔁 1 💬 0 📌 0Thank you Volker for being the perfect host!!
30.03.2025 16:40 — 👍 1 🔁 0 💬 1 📌 0
Stunning time visiting Duke University and UNC this week. Ready for the next part of the US tour!
30.03.2025 08:15 — 👍 8 🔁 1 💬 0 📌 1
First stop: Durham, NC!
24.03.2025 06:16 — 👍 0 🔁 0 💬 0 📌 0#compchem and it is out!
27.02.2025 15:31 — 👍 1 🔁 0 💬 0 📌 0And 1 in 2 voted to stop immigration and kick out immigrants (CDU is also all for that and only got the percentage they got because they lifted this flag now).
25.02.2025 10:27 — 👍 0 🔁 0 💬 1 📌 0#chemsky #compchem #ml
12.02.2025 09:07 — 👍 1 🔁 0 💬 0 📌 0#chemsky #compchem #quantum
12.02.2025 09:06 — 👍 1 🔁 0 💬 0 📌 0#compchem #quantum
12.02.2025 09:05 — 👍 1 🔁 0 💬 0 📌 0#compchem #machinelearning #ml #chemsky
12.02.2025 09:05 — 👍 2 🔁 0 💬 0 📌 0#compchem #machinelearning
12.02.2025 09:05 — 👍 1 🔁 0 💬 0 📌 0
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!
At some point during my PhD (with you in Berlin 😃) I started writing down things I managed to do every day, to convince myself I was getting somewhere 👌🏽
10.01.2025 09:47 — 👍 3 🔁 0 💬 0 📌 0
Snow in Hamburg is always nice :-)
04.01.2025 15:45 — 👍 5 🔁 0 💬 0 📌 0
Happy 2025!!!
01.01.2025 08:42 — 👍 9 🔁 0 💬 0 📌 0
Foggy lane
27.12.2024 16:09 — 👍 0 🔁 0 💬 0 📌 0
A very happy Christmas to everyone!
25.12.2024 17:43 — 👍 10 🔁 0 💬 0 📌 0