Henrique C. S. Junior's Avatar

Henrique C. S. Junior

@hcsj

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.

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29.07.2023
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Latest posts by Henrique C. S. Junior @hcsj

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Me working with Claude Opus 4.6 Extended to generate some inputs #Claude

07.03.2026 13:50 πŸ‘ 0 πŸ” 0 πŸ’¬ 0 πŸ“Œ 0

And here I am back with Grace...

06.03.2026 21:51 πŸ‘ 0 πŸ” 0 πŸ’¬ 0 πŸ“Œ 0

Resident Evil, I played it all from the very first one. Leon is an absolute beat in #RE9. Holy moly!

06.03.2026 21:38 πŸ‘ 0 πŸ” 0 πŸ’¬ 0 πŸ“Œ 0
A 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!!!!".

A 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 πŸ‘ 1 πŸ” 0 πŸ’¬ 0 πŸ“Œ 0

And if you look at the papers, some actually seem quite interesting. There was no reason to cheat, but....

04.03.2026 19:25 πŸ‘ 1 πŸ” 0 πŸ’¬ 0 πŸ“Œ 0

But of course. Nobody could accuse him of wrongdoing.

04.03.2026 19:00 πŸ‘ 1 πŸ” 0 πŸ’¬ 0 πŸ“Œ 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.

04.03.2026 18:58 πŸ‘ 1 πŸ” 0 πŸ’¬ 1 πŸ“Œ 0

MeCN for the win.

04.03.2026 16:33 πŸ‘ 0 πŸ” 0 πŸ’¬ 0 πŸ“Œ 0

To 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 πŸ‘ 1 πŸ” 0 πŸ’¬ 1 πŸ“Œ 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.

04.03.2026 13:24 πŸ‘ 2 πŸ” 0 πŸ’¬ 1 πŸ“Œ 1
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donald trump is wearing a suit and tie and is making a funny face . ALT: donald trump is wearing a suit and tie and is making a funny face .

Pessoas que falam de si mesmos na terceira pessoa do singular... Que bando de esquisitos.

03.03.2026 11:41 πŸ‘ 1 πŸ” 0 πŸ’¬ 0 πŸ“Œ 0

Some very solid acting in Gideon too. I am quite impressed.

03.03.2026 00:06 πŸ‘ 0 πŸ” 0 πŸ’¬ 0 πŸ“Œ 0
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02.03.2026 22:06 πŸ‘ 5 πŸ” 1 πŸ’¬ 0 πŸ“Œ 0
Quantum Chemistry with Jupyter Notebooks : eChem workshop in Marseille 2026 - Sciencesconf.org Exploring Molecular Systems

#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

02.03.2026 08:37 πŸ‘ 4 πŸ” 3 πŸ’¬ 0 πŸ“Œ 0

Yes, I did. #QuitGPT

02.03.2026 01:24 πŸ‘ 3 πŸ” 0 πŸ’¬ 0 πŸ“Œ 0
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#literature

01.03.2026 00:21 πŸ‘ 8 πŸ” 3 πŸ’¬ 0 πŸ“Œ 0

The CI iterations failed to converge haha. But after some tweaks it is going forward right now.

28.02.2026 22:57 πŸ‘ 0 πŸ” 0 πŸ’¬ 0 πŸ“Œ 0
Photograph of David Waldeck - in the background is the University of Pittsburgh's Cathedral of Learning

Photograph 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

26.02.2026 15:23 πŸ‘ 23 πŸ” 6 πŸ’¬ 7 πŸ“Œ 3

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.

25.02.2026 20:25 πŸ‘ 2 πŸ” 0 πŸ’¬ 1 πŸ“Œ 0
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Chemist nears three dozen retractions for image duplication, self-citation and more A screenshot of Louis’ LinkedIn profile before we reached out to him. Racking up 35 retractions in just 24 months, chemist Hitler Louis has scored a place on our leaderboard.Β  The papers…

I guess the phrase "worse than Hitler" don't apply here. #chemchat

retractionwatch.com/2026/02/24/c...

25.02.2026 20:14 πŸ‘ 4 πŸ” 1 πŸ’¬ 1 πŸ“Œ 1
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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/

24.02.2026 21:46 πŸ‘ 1 πŸ” 1 πŸ’¬ 0 πŸ“Œ 0

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 πŸ‘ 2 πŸ” 0 πŸ’¬ 0 πŸ“Œ 0
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CAS(20,25) with ICECI surprisingly fast.

24.02.2026 19:37 πŸ‘ 2 πŸ” 0 πŸ’¬ 0 πŸ“Œ 0
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Postdoc position (Marseille) β€” Nonadiabatic dynamics of excitonic states in chiral hybrid interfaces A postdoc position (two years) will be available at Aix-Marseille University (amU), Marseille, co-supervised by Prof. Mario Barbatti (ICR, amU/CNRS) and Dr. Josene Toldo (LCH, Lyon1 University). The s...

Postdoc position in Marseille. #CompChem

euraxess.ec.europa.eu/jobs/412917

24.02.2026 14:08 πŸ‘ 3 πŸ” 5 πŸ’¬ 0 πŸ“Œ 0
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My first time using F12 πŸ˜‘

24.02.2026 14:23 πŸ‘ 0 πŸ” 0 πŸ’¬ 0 πŸ“Œ 0
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#VISTAtalks on #CompChem πŸ§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/

18.02.2026 06:13 πŸ‘ 6 πŸ” 3 πŸ’¬ 0 πŸ“Œ 0

#chemchat
I remember when I used to be a decent Python coder.
At this rate, I may be writing the last lines of code I’ll ever write. LLMs are getting so good that soon my main skill will be knowing how to spell β€œfunction.”

18.02.2026 02:33 πŸ‘ 0 πŸ” 0 πŸ’¬ 0 πŸ“Œ 0
8th Graders Can’t Read or Think and Teachers Are Warning America 😭
8th Graders Can’t Read or Think and Teachers Are Warning America 😭 YouTube video by Teacher Therapy

I see the same almost every semester:

www.youtube.com/shorts/YzA27...

17.02.2026 22:35 πŸ‘ 0 πŸ” 0 πŸ’¬ 0 πŸ“Œ 0

I just watched Frankenstein by Guilhermo del Toro. 7/10.

15.02.2026 02:50 πŸ‘ 0 πŸ” 0 πŸ’¬ 0 πŸ“Œ 0

Lawful Neutral

12.02.2026 14:09 πŸ‘ 1 πŸ” 0 πŸ’¬ 0 πŸ“Œ 0