Henrique C. S. Junior
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.
- Reposted by Henrique C. S. JuniorExcited to share the upcoming CECAM workshop: “Accessibility, Inclusivity & Visibility in Computational Chemistry”! 📅 Apr 22–24, 2026 📍 Lyon (hybrid) 💸 Free registratration: deadline Mar 31 Join us to discuss how to make #Compchem more inclusive & accessible. Contributed talks welcome!
- Reposted by Henrique C. S. JuniorObviously a lot is going on (gestures widely) Amid chaos, I cope by doing *something* -- anything. Lately, it's been coding for @avogadro.cc because it feels like some small change I can do myself For *years* I've wanted to show electron density volumes .. little clouds ☁️☁️ #compchem
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- Reposted by Henrique C. S. JuniorWe are aiming for a release of Avogadro 2.0 on 06-Feb (06/02 😉) If you are running into bugs or problems, please report them soon! #compchem discuss.avogadro.cc
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- Reposted by Henrique C. S. JuniorI'd like to chat with people who have applied for grad school in chem or biochem for fall 2026 for an article in C&EN (@cenmag.bsky.social) about how funding changes in the US are impacting admissions. If this is you, please fill out this form. forms.office.com/r/5xUxaqEnfX #chemsky #chemchat
- The paper: iopscience.iop.org/article/10.1... #CompChem
- I have put together a webapp called Q-Shape. It is a browser-based tool for quantitative coordination geometry analysis. Q-Shape has results parity with the classic SHAPE software, but aims to be much easier to use. Tests and feedback are welcome. #CompChem #ChemSky #CompChemSky
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- I keep reading good things about @veloxchem.bsky.social . I hope the software is growing fast. #CompChem
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- Dear colleagues in the #CompChem community, Next year, I plan to venture into learning a software package for working with periodic boundary conditions. Which free software would you recommend? CP2K, SIESTA, Quantum ESPRESSO, or something else?
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- Reposted by Henrique C. S. JuniorI am often asked: What is the best telescope to buy for someone just getting into astronomy? 🪐🔭👀 As a theorist, I am absolutely useless and can tell you nothing. HOWEVER, my friend the wonderful @philplait.bsky.social is NOT useless and has great advice & relevant links here! ⤵️
- Rio de Janeiro right now: the sky is a bright blue, not a single cloud in sight. The sun is strong, so yellow it hurts the eye. I hate it.
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- This time, I swear to God, this is the last manuscript I’ll accept to review this year. #chemchat
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- "Pathetic", said full-CI #chemchat
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- 😂
- Reposted by Henrique C. S. JuniorI have recently added #ChemChat as a feed thanks to @stephy.bsky.social (and to @chemjobber.bsky.social for the concept) If that's your sort of thing, here it is: bsky.app/profile/did:... I warn you though, mere moments in and I'm considering bread concepts (again). Enter at your own risk.
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- Reposted by Henrique C. S. JuniorWooHoo! @chemrxiv.org has just crossed 10,000 papers (preprints) in the Theoretical and computational chemistry section! #compchem This is the largest section so far... chemrxiv.org/engage/chemr...
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- New paper with my colleagues at #UFRRJ and #UFRGS. In this work #ORCA nailed to show in extreme detail the formation process of a zinc complex AND the charge transfer. Yes, we have AIMD, we have DLPNO-CCSD(T) and a little bit of TD-DFT. #CompChem #ChemSky doi.org/10.1016/j.dy...
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[Not loaded yet] - 1 in 5 chemists have deliberately added errors into their papers during peer review, study finds #ChemSky cen.acs.org/policy/publi...
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- C'mon LEAN-SCF, I gave you a good initial wavefunction. Throw me a bone, please. #ORCA
- Reposted by Henrique C. S. JuniorAh! Good morning, reality. And welcome. We’ve been expecting you…
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- Ainda ontem me gabei de que não peguei essa gripe sinistra que anda por aí. Hoje, com dor de garganta, não aguento nem beber água.
- Reposted by Henrique C. S. JuniorSkala is now available to everyone! Why are we releasing it? Because we’re not just aiming to publish a cool paper — we’re on a mission to bring DFT to chemical accuracy using deep learning. And to make real progress, we need the community’s feedback. #compchem
- The wait is over! Microsoft Research is sharing Skala, the new exchange-correlation functional, marking a major milestone in the accuracy/cost trade-off in DFT. Help us learn from your testing so we can improve. Available on Azure AI Foundry and GitHub. msft.it/6016sFDLY
- Goodbye Jane #Goodall. You were trully amazing.
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- Fim do Imposto de Renda aos Profissionais da Educação! lucienecavalcante.com.br/educacaosemi...
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- Maybe I am done for the year as a reviewer.
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- Reposted by Henrique C. S. JuniorDonate to my campaign to make Laura Loomer’s day worse: secure.actblue.com/donate/abu-bluesky
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- Yep!
- Tem todo tipo de idiota neste mundo:
- Grande dia! 👍
- What is your take on this @bernadsz.bsky.social ?
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- @mailbird.bsky.social I’ve decided to cancel my Mailbird subscription. I paid for the “lifetime” plan, yet I was still going to be billed annually for updates - very Adobe-esque.
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- Never ask r2SCAN-3c to do PBEh-3c's job. 😑
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- Que dia triste...
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- How hard can it be to converge to a triplet state? As it turns out, very much in some cases. 😂 #compchem
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