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Dan Gezelter

@gezelter.bsky.social
1K followers 816 following 47 posts

Thinks about chemical education, theoretical chemistry, open science, molecular dynamics, and ice. The first “Dr. Who” for the Jmol team, Bagpiper, Dad. Chemistry Professor & Department Chair @ University of Notre Dame. Posts are my own.

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Reposted by Dan Gezelter
notredamescience.bsky.social @notredamescience.bsky.social · 16/09/2026
Nobel laureate Frances Arnold accepted the Rev. Joseph Carrier, C.S.C., Science Medal from University President Rev. Robert A. Dowd, C.S.C., at the University of Notre Dame on Monday, Sept. 14, in the Jordan Hall of Science.
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Terence Tao @teorth.bsky.social · 11/09/2026
A group of 25 Fields Medalists, including myself, have made a joint declaration on Math and AI: mathandai.org . We welcome additional signatories. See also this article in the Economist announcing the declaration: www.economist.com/science-and-...
mathandai.org
Declaration — Math and AI
Read the declaration and add your name.
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Jennifer Ouellette @jenlucpiquant.bsky.social · 30/07/2026
Bagpipes - the first defence against alien invaders? www.bbc.co.uk/news/article...
bbc.co.uk
Banbury bagpipes - the first defence against alien invaders?
Oxfordshire piper's tunes could soon make it to the moon under the plans of an space entrepreneur.
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The Editorial Board @editorialboard.bsky.social · 29/07/2026
Dr. Fauci is a hero. He really is. He helped guide America thru a mass death event. Millions more could have died but they did not, thanks to him. Everyone over 70 owes him a debt. It is disgusting that we live in a country that not only dishonors him but actively smears his good name.
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Dan Gezelter @gezelter.bsky.social · 28/07/2026
This looks very cool: franktisellano.github.io/datatype/
franktisellano.github.io
Datatype — variable font that turns text into charts
An OpenType variable font that turns simple text expressions into inline charts. No JavaScript, no images — just type.
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Dr Kat Day (she/her) 🌖 @chronicleflask.katday.com · 23/07/2026
One for the chemists… 😄
Photo of a screen that shows:

New Password:
H₃PO₄
Weak

New Password:
H₂SO₄
Strong
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Nathan K. Hensley @nathankhensley.bsky.social · 19/07/2026
Local plumbers two steps ahead of every university administrator in america 👏
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Dr. Jeroen W.P. Wijnendaele @drdragases.bsky.social · 16/07/2026
I am once again begging Hollywood to stop using the Greek alphabet for an Ancient World movie, if they can't afford to even throw a couple of quid at anyone with an inkling of the language. Unless they really think audiences are dying to see THS THDPSSSSPS
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Jason Moore @moorejh.bsky.social · 11/07/2026
Who did this? #worldcup #chemistry
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Dr. Twink, Microplastic Surgeon @subtlebeast.bsky.social · 05/07/2026
I hope Mexico beats England today as revenge for Mexico week on the Great British Bake-off
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Dan Gezelter @gezelter.bsky.social · 05/07/2026
Tonight’s game is “Fireworks or Thunder?”
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Baker Lab @ Notre Dame @nd-bakerlab.bsky.social · 03/07/2026
Coming up this month...we've added an alternate/emo set...chose your flyer, we have rocker red or party pink!
Poster for the Standard Deviants gig this month in rocker red.Poster for the Standard Deviants gig this month in party pink.
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Nessa Carson @supersciencegrl.co.uk · 02/07/2026
Finally, a measured article about what AI can and can't, and should and shouldn't, do in science. By @trantteam.bsky.social for @cenmag.bsky.social cen.acs.org/pharmaceutic...
cen.acs.org
The AI Chemist: To be trustworthy, LLMs need to show their work
Good scientists reveal how they do their experiments and report their results; so should any machine-driven research
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American Chemical Society @acs.org · 01/07/2026
A proposed Office of Management and Budget rule could affect how science is funded, conducted, and shared. ACS President Rigoberto Hernandez explains what's at stake, and why your voice matters. Submit your comment by July 13: buff.ly/iSlX8wI
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In Preparation @inprep.bsky.social · 22/05/2026
inpreparation.substack.com
Opinion: Let Me See What I Can Do, Which Is Nothing
By Dr. Catherine Sterling, Dean of the School of Sciences, University of [Redacted]
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Dan Gezelter @gezelter.bsky.social · 21/05/2026
Too real. Too close to home. www.theatlantic.com/newsletters/...
theatlantic.com
Greetings, Class of 2026! Have You Heard About AI? Wait, Why Are You Booing?
I thought this pro-AI speech was bound to be a hit.
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James Linzel @jlinzel.bsky.social · 08/05/2026
To the hackers that threaten to "leak everything" from Canvas... Listen, if y'all think you can get somebody to read a g-d- syllabus, more power to ya, buddy. Good luck, godspeed, I'm not entirely sure you thought this all the way through.
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Avogadro Project @avogadro.cc · 20/01/2026
We 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
discuss.avogadro.cc
Avogadro Discussion
Discussion about the Avogadro molecular editor
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Dan Gezelter @gezelter.bsky.social · 02/01/2026
For me, McQuarrie's Statistical Mechanics. #compchem
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Dan Gezelter @gezelter.bsky.social · 31/10/2025
Boo!
A candle-lit jack-o-lantern
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Avogadro Project @avogadro.cc · 23/10/2025
It's 10-23 day! So we decided to make a new release: - AutoOptimize Tool 🎉 - New charts and spectra - Easier geometry constraints, including for ORCA input - Plenty of bug fixes and tweaks discuss.avogadro.cc/t/avogadro-1...
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Carl Zimmer @carlzimmer.com · 22/09/2025
Greetings, people of @notredame.bsky.social ! I'll be visiting on Thursday for a public lecture on writing about science in these unprecedented times. science.nd.edu/events/2025/...
science.nd.edu
An Evening With Carl Zimmer, science journalist and book author
Carl Zimmer is an award-winning New York Times columnist and author of 15 books about science. His talk, "Science, science communications and science jo...
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Carl Zimmer @carlzimmer.com · 19/09/2025
I'm headed to Notre Dame next week to give a public lecture on Thursday 9/25 about science writing in an age of <waves hands> all this. Details here: science.nd.edu/events/2025/...
science.nd.edu
An Evening With Carl Zimmer, science journalist and book author
Carl Zimmer is an award-winning New York Times columnist and author of 15 books about science. His talk, "Science, science communications and science jo...
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Dan Gezelter @gezelter.bsky.social · 03/09/2025
Come be my Neuroscience / Neurochemistry colleague at Notre Dame! apply.interfolio.com/173035
apply.interfolio.com
Apply - Interfolio {{$ctrl.$state.data.pageTitle}} - Apply - Interfolio
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Dan Gezelter @gezelter.bsky.social · 11/08/2025
Come be my colleague at Notre Dame! We’re searching for a theorist this year: chemistryjobs.acs.org/job/tenure-t...
chemistryjobs.acs.org
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Dan Gezelter @gezelter.bsky.social · 11/08/2025
Our new paper on ice-active solutions (de-icers, cryoprotectants, salts) near ice surfaces is out! doi.org/10.1063/5.02... (also on arXiv: arxiv.org/abs/2508.03591 )
doi.org
Molecular dynamics of ice-active solutions at ice–water interfaces
Small molecules that interact strongly with water were the subject of this molecular dynamics (MD) study. These solutes include a cryoprotectant (DMSO), a polya
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Opal @opalescentopal.bsky.social · 27/07/2025
With Tom Lehrer's passing, I suppose this is a moment to share the story of the prank he played on the National Security Agency, and how it went undiscovered for nearly 60 years.
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Dan Gezelter @gezelter.bsky.social · 11/06/2025
This is an amazing demonstration for talking about chirality and polarimetry.
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Daniel S. Katz @danielskatz.org · 05/06/2025
Research software is increasingly recognised as a core research output, alongside publications and datasets. (1/5) #OpenScience #ResearchSoftware #OpenSource
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Lars Fischer @fischblog.bsky.social · 31/05/2025
I made a survey over at Mastodon and found that Fusilli are mostly right-handed spirals, but about a third of the brands is left-handed. So far there seems to be no racemic Fusilli brand. Pasta producerst have achieved a degree of enantiomeric purity chemists can only dream of. 🧪 #chemsky
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Brian Nosek @briannosek.bsky.social · 29/05/2025
Complementing other communications about the "Restoring Gold Standard Science" Executive Order, here is a statement from COS. Also, see the links to stories from previous attempts to co-opt open science for policies that undermine science and evidence-based policymaking. www.cos.io/about/news/c...
cos.io
COS Statement on “Restoring Gold Standard Science” Executive Order
The Executive Order issued on May 23, 2025, Restoring Gold Standard Science, references several open science practices championed by COS and the open science and metascience communities more generally...
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Dan Gezelter @gezelter.bsky.social · 19/05/2025
161 messages so far, mostly “take me off this list!”
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Dropped Mike @rebrafsim.bsky.social · 09/05/2025
*pronouncing leo XIV like arXIV*
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University of Notre Dame @notredame.bsky.social · 07/05/2025
Congratulations to Clare Cullinan and Bennett Schmitt, our Class of 2025 Valedictorian and Salutatorian! go.nd.edu/da4301
Two students smiling in front of a stone archway, one wearing a green jacket and the other in a blue suit with a lapel pin.
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Dan Gezelter @gezelter.bsky.social · 02/04/2025
The best movie about academic science ever made!
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Jess Calarco @jessicacalarco.com · 02/04/2025
Booker, after speaking for more than 24 hours and breaking Thurmond's record, is still standing and still speaking--using his time to warn his colleagues and his country about the dangers of defunding universities and defunding scientific research.
Booker telling the story of his father's experience with Parkinson's and using it to speak about the importance of funding research on science and health.
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Dan Gezelter @gezelter.bsky.social · 26/03/2025
Me too!
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Dan Gezelter @gezelter.bsky.social · 24/03/2025
Couldn't go to ACS Spring meeting this year, so I'm feeling like I'm missing out on the Igloo experience.
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Dan Gezelter @gezelter.bsky.social · 16/03/2025
Rockstars of Chemistry
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Dan Gezelter @gezelter.bsky.social · 05/03/2025
The Plumber's Union, which is the group that does the dyeing, says it isn't. But, is a brownish-reddish powder that sure looks like fluorescein. That said, I'm just a theoretical chemist (and one of the bagpipers on the boat).
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Carausius @carausius286.bsky.social · 20/02/2025
Oh yes, Homer’s famous “Tes Thdpssssps.” 👍🏻
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Joanna Bagniewska @joannabagniewska.com · 07/02/2025
Hardly new info, but BSky should know: Warsaw's water quality is monitored by eight clams with magnets attached to their shells. If contamination in the water causes the clams to close, the magnets trigger an alarm and shut off the city's water supply. Thank you, little guardian molluscs. 🧪🌏🚰
A clam with a spring attached to the shell. The spring has a magnet placed above a sensor.
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Dan Gezelter @gezelter.bsky.social · 28/01/2025
An intruder on the theory floor.
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Avogadro Project @avogadro.cc · 22/01/2025
We're starting off 2025 with a new release - 1.100 Highlights include new blur and fog rendering, faster orbital surfaces, return of the MO table, translucent balls-and-sticks, conformer properties, an improved molecular properties window, and more... discuss.avogadro.cc/t/avogadro-1...
Molecular rendering of a tetrapeptide with translucent van der Waals spheres and balls-and-sticks backboneRendering of C60 fullerene with highest-occupied molecular orbital (HOMO) in translucent blue and red surfaces with a window listing all molecular orbitals, energies and rendering statusMolecular properties window, listing molecule name (C60-Ih)[5,6]fullerene or C60 fullerene, molecular mass, chemical formula, number of atoms, number of bonds, net charge, net spin multiplicity, dipole moment (0.0), HOMO and LUMO orbital energies in eV
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Dan Gezelter @gezelter.bsky.social · 31/12/2024
This is a fascinating autobiography of one of our greats. He'll be missed.
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Dan Gezelter @gezelter.bsky.social · 30/12/2024
This thread is academic comedy gold!
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Dan Gezelter @gezelter.bsky.social · 16/12/2024
This is a fascinating paper!
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Dan Gezelter @gezelter.bsky.social · 06/12/2024
Happy Lennard-Jones day, everyone!
A LaTeX equation for the Lennard Jones Potential: V_\mathrm{LJ}(r) = 4 \varepsilon \left( \left(\frac{\sigma}{r}\right)^{12} - \left(\frac{\sigma}{r}\right)^6 \right)
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Christopher Ing @jsci.bsky.social · 03/12/2024
Murphy's Law of Molecular Dynamics Simulations: "If there's a rare event you want to sample, all other rare events will be sampled first".
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Avogadro Project @avogadro.cc · 30/11/2024
In honor of Black Friday in the US, we've got a special discount! Use "Open Source" and you can get Avogadro 1.99 for free! Wait, you *never* need a discount code? It's #opensource and #openscience Visit two.avogadro.cc and discuss.avogadro.cc to see what we've been doing for Avogadro v2.
Screenshot from Avogadro showing a C60 buckminsterfullerene cage with a translucent sodium atom insideScreenshot of a zirconacene catalyst with zirconium atom marked as "Zr" surrounded by a translucent van der Waals sphere illustrating the size of the metal atom and its interaction with the ligands
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