My small benchmark. Thought you might find it interesting.
08.03.2026 14:29 β π 1 π 0 π¬ 1 π 1@hcsj.bsky.social
Assistant professor at UFRRJ. Computational chemist from Rio de Janeiro. My thing is inorganic and photochemistry. I do some python. I play some blues. This is my personal account. Opinions are my own.
My small benchmark. Thought you might find it interesting.
08.03.2026 14:29 β π 1 π 0 π¬ 1 π 1Me working with Claude Opus 4.6 Extended to generate some inputs #Claude
07.03.2026 13:50 β π 0 π 0 π¬ 0 π 0And here I am back with Grace...
06.03.2026 21:51 β π 0 π 0 π¬ 0 π 0Resident Evil, I played it all from the very first one. Leon is an absolute beat in #RE9. Holy moly!
06.03.2026 21:38 β π 0 π 0 π¬ 0 π 0A four-panel comic strip illustrating the ironic contrast between the monumental scientific effort required to create satellite internet and the way it is sometimes utilized. Panel 1: A scientist works diligently at a desk late at night. She is looking at papers, a calculator, and a computer monitor displaying a graph. A caption box at the top reads: "THE EFFORT OF MANY SCIENTISTS". Panel 2: A large rocket launches from a coastal launchpad on Earth, heading up toward space. A caption box reads: "ONE OF THE GREATEST TECHNOLOGICAL CHALLENGES". Panel 3: A satellite is shown orbiting a clearly spherical Earth against the black backdrop of space. A caption box reads: "ALL OF THIS TO DELIVER INTERNET...". Panel 4: An angry-looking man is recording himself with his smartphone. A caption box reads: "TO BILLY". Billy has a speech bubble that reads: "THE EARTH IS FLAT!!!!".
Shut up Billy!
04.03.2026 21:18 β π 1 π 0 π¬ 0 π 0And if you look at the papers, some actually seem quite interesting. There was no reason to cheat, but....
04.03.2026 19:25 β π 1 π 0 π¬ 0 π 0But of course. Nobody could accuse him of wrongdoing.
04.03.2026 19:00 β π 1 π 0 π¬ 0 π 0
Really? he is quite famous at PubPeer: pubpeer.com/search?q=Hit...
And I am a bit sad that this gives Comp Chemists a bad reputation.
Well... ai least I had the chance to make my "worse than Hitler" joke.
MeCN for the win.
04.03.2026 16:33 β π 0 π 0 π¬ 0 π 0To be honest I was not expecting to be able to really work with it this fast and for the software to be THIS good. O am already pointing my peers to www.fhi-aims.org
04.03.2026 14:30 β π 1 π 0 π¬ 1 π 0
Hi, Volker. Just to let you know that I am already getting great results using #FHI-aims. The compilation to use GPU was easy enough and it is now moving to more serious jobs.
Thank you so much for the suggestion.
Pessoas que falam de si mesmos na terceira pessoa do singular... Que bando de esquisitos.
03.03.2026 11:41 β π 1 π 0 π¬ 0 π 0Some very solid acting in Gideon too. I am quite impressed.
03.03.2026 00:06 β π 0 π 0 π¬ 0 π 0
#compchem colleagues,
Want to learn about @veloxchem.bsky.social and @viamd.bsky.social?
Join us at The eChem workshop "Quantum Chemistry with Jupyter Notebooks", will take place in Marseille (France) from May 18th to May 22nd, 2026.
Information & registration:
echemarseille26.sciencesconf.org
Yes, I did. #QuitGPT
02.03.2026 01:24 β π 3 π 0 π¬ 0 π 0#literature
01.03.2026 00:21 β π 8 π 3 π¬ 0 π 0The CI iterations failed to converge haha. But after some tweaks it is going forward right now.
28.02.2026 22:57 β π 0 π 0 π¬ 0 π 0Photograph of David Waldeck - in the background is the University of Pittsburgh's Cathedral of Learning
I share the sad news that Prof. David H. Waldeck passed away after a battle with cancer. Dave was an extraordinarily creative scientist, a devoted educator, and to all of us a friend, mentor, and leader.
He will be deeply missed
#chemsky #chemchat
I just received the slurm alert that my SA-CAS(20,25) has finished in 23:48:38.
Yeah, right. Not even ORCA with ICECI is that fast.
I have a baaaaaaad feeling.
I guess the phrase "worse than Hitler" don't apply here. #chemchat
retractionwatch.com/2026/02/24/c...
In this recent paper, authors introduce a new geometrical descriptor for covalency. They use Q-Chem's EDA, a well-established descriptor for covalency, as a point of comparison for their new metric. doi.org/10.1039/D5DT...
Try EDA in Q-Chem: q-chem.com/try/
What a time to be alive! Students preparing reports made by AI and we can start grading the reports using AI. Soon, on an university close to you!
25.02.2026 00:15 β π 2 π 0 π¬ 0 π 0CAS(20,25) with ICECI surprisingly fast.
24.02.2026 19:37 β π 2 π 0 π¬ 0 π 0
Postdoc position in Marseille. #CompChem
euraxess.ec.europa.eu/jobs/412917
My first time using F12 π
24.02.2026 14:23 β π 0 π 0 π¬ 0 π 0
#VISTAtalks on #CompChem π§ͺ
Wed 25 Feb 2026, 10:00 Buffalo / 15:00 London / 16:00 Paris / 23:00 Beijing
* Pedraza-GonzΓ‘lez, U Pisa: Excitation energy transfer in microbial rhodopsins
* Pimentel, U California Irvine: Thermodyn. consistent coarse-graining
quantum-dynamics-hub.github.io/VISTA/
#chemchat
I remember when I used to be a decent Python coder.
At this rate, I may be writing the last lines of code Iβll ever write. LLMs are getting so good that soon my main skill will be knowing how to spell βfunction.β
I see the same almost every semester:
www.youtube.com/shorts/YzA27...
I just watched Frankenstein by Guilhermo del Toro. 7/10.
15.02.2026 02:50 β π 0 π 0 π¬ 0 π 0