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Dan Gezelter

@gezelter.bsky.social

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.

971 Followers  |  790 Following  |  36 Posts  |  Joined: 24.11.2023  |  2.2759

Latest posts by gezelter.bsky.social on Bluesky

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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...

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/...

22.09.2025 18:05 — 👍 25    🔁 5    💬 0    📌 1
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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...

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/...

18.09.2025 23:47 — 👍 68    🔁 8    💬 1    📌 0
Apply - Interfolio {{$ctrl.$state.data.pageTitle}} - Apply - Interfolio

Come be my Neuroscience / Neurochemistry colleague at Notre Dame!
apply.interfolio.com/173035

03.09.2025 20:12 — 👍 1    🔁 0    💬 0    📌 0

Come be my colleague at Notre Dame! We’re searching for a theorist this year: chemistryjobs.acs.org/job/tenure-t...

11.08.2025 20:21 — 👍 1    🔁 0    💬 0    📌 0
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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

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 )

11.08.2025 17:28 — 👍 3    🔁 0    💬 0    📌 0

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.

27.07.2025 21:01 — 👍 8609    🔁 3622    💬 143    📌 713

Not on the department’s dime, right?

27.06.2025 04:18 — 👍 0    🔁 0    💬 1    📌 0

This is an amazing demonstration for talking about chirality and polarimetry.

11.06.2025 13:53 — 👍 2    🔁 1    💬 0    📌 0

Research software is increasingly recognised as a core research output, alongside publications and datasets. (1/5)

#OpenScience #ResearchSoftware #OpenSource

05.06.2025 15:59 — 👍 5    🔁 2    💬 1    📌 0

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

31.05.2025 09:38 — 👍 165    🔁 31    💬 11    📌 2
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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...

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...

29.05.2025 19:51 — 👍 48    🔁 29    💬 2    📌 7

161 messages so far, mostly “take me off this list!”

19.05.2025 17:58 — 👍 1    🔁 0    💬 0    📌 0

*pronouncing leo XIV like arXIV*

09.05.2025 10:55 — 👍 114    🔁 32    💬 3    📌 0
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.

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.

Congratulations to Clare Cullinan and Bennett Schmitt, our Class of 2025 Valedictorian and Salutatorian!

go.nd.edu/da4301

07.05.2025 15:48 — 👍 21    🔁 2    💬 1    📌 0

The best movie about academic science ever made!

02.04.2025 11:12 — 👍 2    🔁 0    💬 0    📌 0
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.

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.

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.

01.04.2025 23:35 — 👍 3737    🔁 591    💬 34    📌 27

Me too!

26.03.2025 15:52 — 👍 4    🔁 0    💬 0    📌 0

Couldn't go to ACS Spring meeting this year, so I'm feeling like I'm missing out on the Igloo experience.

24.03.2025 22:04 — 👍 2    🔁 0    💬 0    📌 0

Rockstars of Chemistry

16.03.2025 02:52 — 👍 4    🔁 0    💬 0    📌 0

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).

05.03.2025 17:43 — 👍 2    🔁 1    💬 0    📌 0
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Oh yes, Homer’s famous “Tes Thdpssssps.”

👍🏻

20.02.2025 03:51 — 👍 10104    🔁 2768    💬 275    📌 717
A clam with a spring attached to the shell. The spring has a magnet placed above a sensor.

A clam with a spring attached to the shell. The spring has a magnet placed above a sensor.

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.

🧪🌏🚰

07.02.2025 12:39 — 👍 6871    🔁 1857    💬 96    📌 239
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An intruder on the theory floor.

28.01.2025 18:46 — 👍 9    🔁 0    💬 2    📌 0
Molecular rendering of a tetrapeptide with translucent van der Waals spheres and balls-and-sticks backbone

Molecular rendering of a tetrapeptide with translucent van der Waals spheres and balls-and-sticks backbone

Rendering 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 status

Rendering 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 status

Molecular 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

Molecular 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

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...

22.01.2025 14:28 — 👍 38    🔁 11    💬 2    📌 1

The teams, the bands, the team managers…

21.01.2025 00:30 — 👍 1    🔁 0    💬 1    📌 0

This is a fascinating autobiography of one of our greats. He'll be missed.

31.12.2024 19:17 — 👍 1    🔁 0    💬 0    📌 0

This thread is academic comedy gold!

30.12.2024 05:01 — 👍 2    🔁 0    💬 0    📌 0

This is a fascinating paper!

16.12.2024 10:15 — 👍 2    🔁 0    💬 0    📌 0
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)

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)

Happy Lennard-Jones day, everyone!

06.12.2024 16:42 — 👍 24    🔁 6    💬 1    📌 0

Including the unphysical events…

03.12.2024 04:41 — 👍 2    🔁 0    💬 0    📌 0

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