Henrique C. S. Junior
@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.
Pinned
Henrique C. S. Junior
@hcsj.bsky.social
· Mar 29
Just wondering when the @royalsociety.org will do something about Musk being a fellow. What a shame.
Reposted by Henrique C. S. Junior
Our last (review) contribution (@pccp.rsc.org) is now online!
We tried to cover DFT from its inception to its latest (deep-learned) examples.
A collaboration between @ctm-itodys.bsky.social, @group-ctm.bsky.social, and the quantum chemistry group of the @ua.es👇🏼
pubs.rsc.org/en/content/a...
We tried to cover DFT from its inception to its latest (deep-learned) examples.
A collaboration between @ctm-itodys.bsky.social, @group-ctm.bsky.social, and the quantum chemistry group of the @ua.es👇🏼
pubs.rsc.org/en/content/a...
December 30, 2025 at 12:54 PM
Our last (review) contribution (@pccp.rsc.org) is now online!
We tried to cover DFT from its inception to its latest (deep-learned) examples.
A collaboration between @ctm-itodys.bsky.social, @group-ctm.bsky.social, and the quantum chemistry group of the @ua.es👇🏼
pubs.rsc.org/en/content/a...
We tried to cover DFT from its inception to its latest (deep-learned) examples.
A collaboration between @ctm-itodys.bsky.social, @group-ctm.bsky.social, and the quantum chemistry group of the @ua.es👇🏼
pubs.rsc.org/en/content/a...
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?
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?
December 30, 2025 at 10:55 AM
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?
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?
Reposted by Henrique C. S. Junior
Fun new paper out today! A new tool to explore how electronic density changes during chemical reactions. #compchem
pubs.acs.org/doi/10.1021/...
pubs.acs.org/doi/10.1021/...
Electron Density Transport During Chemical Reactions
Statistical approaches are an increasingly powerful technique for characterizing changes in the electronic structure during reactions or molecular excitations. High-throughput studies in complex envir...
pubs.acs.org
December 23, 2025 at 11:13 PM
Fun new paper out today! A new tool to explore how electronic density changes during chemical reactions. #compchem
pubs.acs.org/doi/10.1021/...
pubs.acs.org/doi/10.1021/...
Reposted by Henrique C. S. Junior
Theor. Chem. Acc. (@springer.springernature.com) has recently published the last two (highly selective) contributions to the Young Investigators Collection, by Ricardo Ortiz Cano (@uaveiro.bsky.social) and Hilke Bahmann (@uni-wuppertal.bsky.social) Congratulations!
#theochem #compchem #chemsky
#theochem #compchem #chemsky
December 26, 2025 at 2:19 PM
Theor. Chem. Acc. (@springer.springernature.com) has recently published the last two (highly selective) contributions to the Young Investigators Collection, by Ricardo Ortiz Cano (@uaveiro.bsky.social) and Hilke Bahmann (@uni-wuppertal.bsky.social) Congratulations!
#theochem #compchem #chemsky
#theochem #compchem #chemsky
Reposted by Henrique C. S. Junior
#ChemDoodle 3D v7.7 is a feature update including a new #Symmetrize function, support for dative bond types, ORCA input file I/O, and more. #molecularmodeling #chemistry #molecule #cheminformatics
December 17, 2025 at 2:17 PM
#ChemDoodle 3D v7.7 is a feature update including a new #Symmetrize function, support for dative bond types, ORCA input file I/O, and more. #molecularmodeling #chemistry #molecule #cheminformatics
Reposted by Henrique C. S. Junior
Out in @natcomputsci.nature.com: A roadmap for inverse design of #nanomaterials heterostructures via HT data gen -> representation dev -> heteroGNN training -> gradient-based global opt! w/ @emorychannano.bsky.social @ewcspottesmith.bsky.social
www.nature.com/articles/s43...
Free link rdcu.be/eTH72
www.nature.com/articles/s43...
Free link rdcu.be/eTH72
Gradient-based optimization of complex nanoparticle heterostructures enabled by deep learning on heterogeneous graphs - Nature Computational Science
Graph neural networks built on physically motivated representations enable gradient-based optimization of complex upconverting nanoparticle heterostructures, revealing photophysical design rules and a...
www.nature.com
December 17, 2025 at 9:09 PM
Reposted by Henrique C. S. Junior
The videos from our “transition metal electronic structure and spectroscopy” summer school 2025 are now online.
youtube.com/playlist?lis...
youtube.com/playlist?lis...
Summer School Spectroscopy 2025 - YouTube
youtube.com
December 11, 2025 at 4:31 PM
The videos from our “transition metal electronic structure and spectroscopy” summer school 2025 are now online.
youtube.com/playlist?lis...
youtube.com/playlist?lis...
Reposted by Henrique C. S. Junior
I 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! ⤵️
🪐🔭👀
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! ⤵️
BAN #275: Telescope buying advice, Book: It’s Alive, Dial-A-Moon 2021
30 November 2020 Issue #271
badastronomy.beehiiv.com
December 7, 2025 at 3:48 PM
I 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! ⤵️
🪐🔭👀
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.
December 6, 2025 at 3:38 PM
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.
Reposted by Henrique C. S. Junior
Use Fukui functions to estimate molecular reactivity and pinpoint reactive sites. With #WEASEL, you can visualize them and get all associated indices easily using just one command!
Learn more about WEASEL www.faccts.de/weasel
#FACCTs #CompChem #QuantumChem #Fukui #Reactivity #WorkflowAutomation
Learn more about WEASEL www.faccts.de/weasel
#FACCTs #CompChem #QuantumChem #Fukui #Reactivity #WorkflowAutomation
December 5, 2025 at 9:33 AM
Use Fukui functions to estimate molecular reactivity and pinpoint reactive sites. With #WEASEL, you can visualize them and get all associated indices easily using just one command!
Learn more about WEASEL www.faccts.de/weasel
#FACCTs #CompChem #QuantumChem #Fukui #Reactivity #WorkflowAutomation
Learn more about WEASEL www.faccts.de/weasel
#FACCTs #CompChem #QuantumChem #Fukui #Reactivity #WorkflowAutomation
This time, I swear to God, this is the last manuscript I’ll accept to review this year. #chemchat
a man wearing glasses and a name tag that says mateo is holding his hand to his mouth and saying ok .
ALT: a man wearing glasses and a name tag that says mateo is holding his hand to his mouth and saying ok .
media.tenor.com
December 3, 2025 at 1:13 PM
This time, I swear to God, this is the last manuscript I’ll accept to review this year. #chemchat
Reposted by Henrique C. S. Junior
🌍 Opportunities for Chinese PhD Students! 🇨🇳➡️🇪🇸
The CSC-UAM Program offers:
✅ 15 4-year PhD fellowships
✅ 15 1-year research stays
📌 Apply via email (CV+Motivation Letter+2Refs) by Jan 5, 2026
🔗 Details: uam.es/uam/en/inves...
📧 Contact: sandra.gomezr@uam.es
#PhDOpportunity #ResearchStay #CompChem
The CSC-UAM Program offers:
✅ 15 4-year PhD fellowships
✅ 15 1-year research stays
📌 Apply via email (CV+Motivation Letter+2Refs) by Jan 5, 2026
🔗 Details: uam.es/uam/en/inves...
📧 Contact: sandra.gomezr@uam.es
#PhDOpportunity #ResearchStay #CompChem
Programa China Scholarship Council-Universidad Autónoma de Madrid (CSC-UAM)
Programa China Scholarship Council-Universidad Autónoma de Madrid (CSC-UAM)
uam.es
December 2, 2025 at 10:23 AM
🌍 Opportunities for Chinese PhD Students! 🇨🇳➡️🇪🇸
The CSC-UAM Program offers:
✅ 15 4-year PhD fellowships
✅ 15 1-year research stays
📌 Apply via email (CV+Motivation Letter+2Refs) by Jan 5, 2026
🔗 Details: uam.es/uam/en/inves...
📧 Contact: sandra.gomezr@uam.es
#PhDOpportunity #ResearchStay #CompChem
The CSC-UAM Program offers:
✅ 15 4-year PhD fellowships
✅ 15 1-year research stays
📌 Apply via email (CV+Motivation Letter+2Refs) by Jan 5, 2026
🔗 Details: uam.es/uam/en/inves...
📧 Contact: sandra.gomezr@uam.es
#PhDOpportunity #ResearchStay #CompChem
Reposted by Henrique C. S. Junior
We are proud to announce that ORCA 6.1.1 has been released and is available here:
orcaforum.kofo.mpg.de/app.php/dlex...
This is strictly a bugfix release that takes care of the problems that have been reported since the release of ORCA 6.1. The manual has also been updated.
orcaforum.kofo.mpg.de/app.php/dlex...
This is strictly a bugfix release that takes care of the problems that have been reported since the release of ORCA 6.1. The manual has also been updated.
ORCA Forum - Downloads
orcaforum.kofo.mpg.de
December 2, 2025 at 1:50 PM
We are proud to announce that ORCA 6.1.1 has been released and is available here:
orcaforum.kofo.mpg.de/app.php/dlex...
This is strictly a bugfix release that takes care of the problems that have been reported since the release of ORCA 6.1. The manual has also been updated.
orcaforum.kofo.mpg.de/app.php/dlex...
This is strictly a bugfix release that takes care of the problems that have been reported since the release of ORCA 6.1. The manual has also been updated.
Reposted by Henrique C. S. Junior
PLEASE REPOST. My department is hiring for TWO full-time lecturers, one in general chemistry, one in forensic chemistry. We will start reviewing apps 12/15 and go until the positions are filled. jobs.odu.edu/postings/23166 #ChatChemistry #ITeachChem #RealTimeChem #EduSky#Chemistry #ChemEd #ChemSky
Lecturers in Chemistry and Forensic Chemistry (F0851A and F1103A Non-Tenured Track)
The Department of Chemistry and Biochemistry at Old Dominion University invites applicants for two lecturer positions to begin in Fall 2026. These are 10-month appointments, within the career line tra...
jobs.odu.edu
December 2, 2025 at 7:06 PM
PLEASE REPOST. My department is hiring for TWO full-time lecturers, one in general chemistry, one in forensic chemistry. We will start reviewing apps 12/15 and go until the positions are filled. jobs.odu.edu/postings/23166 #ChatChemistry #ITeachChem #RealTimeChem #EduSky#Chemistry #ChemEd #ChemSky
Reposted by Henrique C. S. Junior
Registration NOW OPEN for the 2026 #VWSCC!
📅 26-30 January 2026
Join researchers worldwide for lectures, SFPs, hands-on workshops (Q-Chem & GROMACS), and panel discussions!
🌟 Incredible international speaker lineup from leading scientists across the globe!
Register free: www.winterschool.cc
📅 26-30 January 2026
Join researchers worldwide for lectures, SFPs, hands-on workshops (Q-Chem & GROMACS), and panel discussions!
🌟 Incredible international speaker lineup from leading scientists across the globe!
Register free: www.winterschool.cc
Virtual Winter School on Computational Chemistry - Home
Online congress discussing state of the art computational chemistry
www.winterschool.cc
November 24, 2025 at 11:37 AM
Registration NOW OPEN for the 2026 #VWSCC!
📅 26-30 January 2026
Join researchers worldwide for lectures, SFPs, hands-on workshops (Q-Chem & GROMACS), and panel discussions!
🌟 Incredible international speaker lineup from leading scientists across the globe!
Register free: www.winterschool.cc
📅 26-30 January 2026
Join researchers worldwide for lectures, SFPs, hands-on workshops (Q-Chem & GROMACS), and panel discussions!
🌟 Incredible international speaker lineup from leading scientists across the globe!
Register free: www.winterschool.cc
Reposted by Henrique C. S. Junior
I 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.
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.
November 17, 2025 at 2:42 PM
I 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.
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.
Reposted by Henrique C. S. Junior
November 18, 2025 at 6:00 PM
Reposted by Henrique C. S. Junior
WooHoo! @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...
chemrxiv.org/engage/chemr...
a close up of a red and white logo for coca cola
ALT: a close up of a red and white logo for coca cola
media.tenor.com
November 17, 2025 at 7:47 PM
WooHoo! @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...
chemrxiv.org/engage/chemr...
Reposted by Henrique C. S. Junior
We are hiring a Front-End Engineer!
Help us realizing a web application for molecular structure and quantum chemical dataset exploration through advanced 2D and 3D visualizations. The full job description is available at:
www.faccts.de/careers/#ope...
#OpenPosition #FrontEnd #CompChem #ChemSky
Help us realizing a web application for molecular structure and quantum chemical dataset exploration through advanced 2D and 3D visualizations. The full job description is available at:
www.faccts.de/careers/#ope...
#OpenPosition #FrontEnd #CompChem #ChemSky
Careers - FACCTs
www.faccts.de
November 17, 2025 at 10:34 AM
We are hiring a Front-End Engineer!
Help us realizing a web application for molecular structure and quantum chemical dataset exploration through advanced 2D and 3D visualizations. The full job description is available at:
www.faccts.de/careers/#ope...
#OpenPosition #FrontEnd #CompChem #ChemSky
Help us realizing a web application for molecular structure and quantum chemical dataset exploration through advanced 2D and 3D visualizations. The full job description is available at:
www.faccts.de/careers/#ope...
#OpenPosition #FrontEnd #CompChem #ChemSky