Geoff Hutchison @geoffhutchison.net · 4hSome great new #compchem results from my next-door neighbors in the Carter-Fenk group. 000
Reposted by Geoff Hutchison100 years ago news @100yearsagonews.bsky.social · 21/09/2026Sept. 21, 1926: The University of Pittsburgh gives final approval to the Cathedral of Learning, a Gothic skyscraper that will anchor the campus and become the tallest college building in the world. Groundbreaking is to start next month. Designed as 29 stories, it will grow to 42 when opened in 1937. 15020
Geoff Hutchison @geoffhutchison.net · 16/09/2026I was shocked after moving to Pittsburgh and learning there were 130 municipalities in Allegheny County, for like 1.2M people. 141
Geoff Hutchison @geoffhutchison.net · 13/09/2026"Which gets to something fundamental about A.I. coding, and A.I. in general: It’s very good at reproducing things that look and feel like what came before." … "Craft makes money, and A.I. tends to wreck your sense of craft." 050
Geoff Hutchison @geoffhutchison.net · 11/09/2026On the walk to my office today, #Pittsburgh Soldiers and Sailors Memorial has a tribute with 7,087 dog tags representing the service members lost in the "War on Terror" after September 11, 2001. 060
Reposted by Geoff HutchisonAvogadro Project @avogadro.cc · 11/09/2026We've been working on an internal-coordinate / z-matrix editor. How should we name it? #compchem (Keep in mind we need to translate into multiple languages) 1️⃣ Z-Matrix Editor 2️⃣ Internal Coordinate Editor 📊 Show results 6115
Reposted by Geoff HutchisonMagnetic Resonance News @nmr900.bsky.social · 01/09/2026Angela M. Gronenborn (University of Pittsburgh) to receive the 2027 Nakanishi Prize @acs.org to recognize her significant work that extends chemical and spectroscopic methods to the study of important biological phenomena cen.acs.org/acs-news/acs... #NMRchat 🧲cen.acs.orgACS names 2027 National Award winnersThe winners are being acknowledged for their outstanding achievements in chemistry across various fields in the discipline 0105
Geoff Hutchison @geoffhutchison.net · 29/08/2026A few weeks ago, I posted for the 2026 Avogadro Community Feedback Survey. Over 50 people responded, and several wrote multi-paragraph responses! I posted a summary to the forum and I want to include a few notes for #compchem discuss.avogadro.cc/t/avogadro-2...discuss.avogadro.ccAvogadro 2026 Survey ResultsA few weeks ago, I posted the 2026 Community Feedback Survey - and I’d like to start doing this annually. Thank you to the 49 50 of you who filled out the development survey. Several people wrote… 172
Geoff Hutchison @geoffhutchison.net · 25/08/2026My kids got books from Dolly. As they were growing up, they couldn't quite understand that someone was just *giving* them books they could keep. 092
Geoff Hutchison @geoffhutchison.net · 23/08/2026I tell my students about the Optimism Bias. Heck, I even tell my kids when they (as teenagers) propose overly optimistic projects. So. Tomorrow is the start of the semester. Why am I surprised that I didn't get everything I wanted accomplished over the summer? #academicsky 2140
Reposted by Geoff HutchisonPrashant Kamat @kamat.bsky.social · 21/08/2026ACS names 2026 fellows cen.acs.org/acs-news/acs...cen.acs.orgACS names 2026 fellows59 new fellows are honored for their contributions to science and the society 022
Geoff Hutchison @geoffhutchison.net · 17/08/2026Seriously? A T-Rex eating a book? Reminds me of that post-9-11 logo with the eye scanning the entire world. 010
Reposted by Geoff HutchisonAvogadro Project @avogadro.cc · 08/08/2026Do you use Avogadro? We'd like some feedback: No personal information is required - just a few minutes #compchem #chemsky forms.gle/FqNo8xe9KMPH...forms.gleAvogadro Community FeedbackNow that we've released Avogadro 2.0, we'd like to gain feedback and information on the user community -- how it's used, what you use it for, and how you heard about it to guide future development. T... 074
Geoff Hutchison @geoffhutchison.net · 07/08/2026I've been on review panels. Can you imagine what the NIH and NSF could do with another $1.5B right now? There's so much good science that's going unfunded. 02410
Reposted by Geoff HutchisonAvogadro Project @avogadro.cc · 06/08/2026Avogadro now has over 25 Python plugins for: - input generation for common programs - partial charges and electrostatics - reading and writing file formats through cclib - forcefields and ML potentials - building and analysis commands What are some tools you'd like to see? #compchem 172
Reposted by Geoff HutchisonMichael Clemens @mclem.org · 18/07/2026Yesterday the US Administration supercharged its explicit effort to bar international students from staying in the US after graduation. All Americans should know: 1/3 of *all* STEM PhDs working in the US are immigrants who graduated from US universities, then stayed. www.piie.com/index%2Ephp/... 1232129
Geoff Hutchison @geoffhutchison.net · 14/07/2026More of this. Yes, I use supercomputing facilities and cloud storage. Yes, I think there should be rules about power and water use. Data center build-out is happening incredibly fast and cities and towns and states need time to set rules Widespread support for this 190
Geoff Hutchison @geoffhutchison.net · 13/07/2026Sigh. State budget keeps University funding level for eighth straight year… "all the money Pitt receives from the state is used to provide 18,000 Pennsylvania students with an in-state tuition discount www.utimes.pitt.edu/news/state-b...utimes.pitt.eduState budget keeps University funding level for eighth straight yearPitt will split $10 million in performance-based funding with Penn State and Temple, instead of $30 million requested by Shapiro. 020
Geoff Hutchison @geoffhutchison.net · 07/07/2026Only down 15% - I'm surprised it's not higher. I would have guessed 20% based on anecdotes I've heard in chemistry. 010
Geoff Hutchison @geoffhutchison.net · 24/06/2026Thanks to @bethanyhalford.bsky.social for outlining the challenges right now with PhD programs across the board - and to everyone else who commented. And yes, we will be taking applications to our master's program @pittchemistry.bsky.social - we hope it can help #chemsky 243
Geoff Hutchison @geoffhutchison.net · 14/06/2026And then Alex files for an IPO... "if you’re still confused, all you really need to know is that everything is totally working and everyone is making a lot of money, and you should just stop asking questions, luddite." 110
Geoff Hutchison @geoffhutchison.net · 14/06/2026I have some personal experience with over-valued IPOs. Back in Dec. 1999, VA Linux offered "friends and family" shares to a variety of #opensource maintainers. As a grad student, I was asked if I wanted to buy 50, 100, or 150 shares for $30 / share. I said "what the heck" and put in 50 = $1500 1/x 160
Geoff Hutchison @geoffhutchison.net · 09/06/2026Hey Anthropic? Calling your new model "Fable" might give the wrong (right?) impression given current impressions about LLM models .. you know .. not always telling the truth? Just my 0.02 tokens 160
Reposted by Geoff HutchisonJim Kuhn (he/him) @jckuhn4.bsky.social · 07/06/2026#pittsburghpride2026 062
Reposted by Geoff HutchisonAllegheny County Government @alleghenycounty.bsky.social · 02/06/2026Allegheny County is celebrating Pride Month, the Three Rivers Arts Festival, and the Andy Warhol Bridge’s 100th birthday this month by illuminating our beautiful Sister Bridges in rainbow colors. 🌈😍 05323
Geoff Hutchison @geoffhutchison.net · 22/05/2026The new optimizer works great with ML-based potentials too. Got ideas? As a community #opensource #openscience project, we welcome suggestions (and bug reports) #chemsky 191
Reposted by Geoff HutchisonAvogadro Project @avogadro.cc · 22/05/2026We're still working... @geoffhutchison.net reports on new speedups coming in v2.1 scheduled for June 02 (6/02 in the states 😉) - 20-25x faster orbital and density calculations - 6-8x faster geometry optimizations using an adaptive FIRE+L-BFGS method discuss.avogadro.cc/t/may-2026-d... #compchem 1113
Geoff Hutchison @geoffhutchison.net · 20/05/2026Had a great time at last night's @brucespringsteen.net packed concert in #Pittsburgh - including Ghost of Tom Joad and others with @tommorelloofficial.bsky.social Heard a lot of local cheers for Youngstown Came home feeling better than I have in weeks - "Hope and Dreams" 0111
Reposted by Geoff HutchisonAngus Johnston @angus.bsky.social · 12/05/2026There is no way to do anything interesting in any sustained way in any field without immersion in that field. That's just a fundamental fact of being human, and there's no getting around it. 24526113
Geoff Hutchison @geoffhutchison.net · 12/05/2026There’s a huge difference between undergrad research and letting students follow AI chemistry experiments. Believe me - I’ve seen chem students use current AI models. #chemsky 381
Geoff Hutchison @geoffhutchison.net · 11/05/2026I heard this evening about the passing of Mark Ratner #chemsky Mark was many things - a scientist, an educator, a mentor - a mensch - in all the meanings He always said that the best thing about science were the people that do it. 4334
Geoff Hutchison @geoffhutchison.net · 28/04/2026Another great article on coffee chemistry from Prof. Chris Hendon chhendon.bsky.social Last week as we finished classes, I was telling them about design-of-experiments using a coffee example... #chemsky www.nature.com/articles/s41...nature.comDirect electrochemical appraisal of black coffee quality using cyclic voltammetry - Nature CommunicationsCoffee flavor is primarily determined by the bean roast color and concentration of the beverage. Here, the authors show that both of these characteristics are reflected in the coffee’s cyclic voltammo... 171
Reposted by Geoff HutchisonBookshop.org @bookshop.org · 25/04/2026Choosing local when buying books is more than just where you shop: You’re protecting creativity. You’re defending the freedom to read. You’re uplifting diverse voices. You’re investing in neighbors. Today, and every day, we celebrate and support indie bookstores. Happy Independent Bookstore Day! 6793321
Reposted by Geoff HutchisonAndrea Devon @andreadevon.sheshed.rocks · 22/04/2026She warned the world before it was ready to listen. Rachel Carson exposed the dangers of pesticides and helped launch the modern environmental movement. Scientist. Author. A mind behind the science that saved lives. Her work still shapes how we protect life. #EarthDay #SheShed 26605292
Reposted by Geoff HutchisonUnion of Concerned Scientists @ucs.org · 22/04/2026This #EarthDay, we’re grateful to NASA and the Artemis II crew for giving us a whole new perspective on our work tackling the world’s most pressing issues. 15929
Reposted by Geoff HutchisonArs Technica @arstechnica.com · 21/04/2026arstechnica.comGlobal growth in solar "the largest ever observed for any source"The Energy Information Agency says we've entered the Age of Electricity. 215847
Geoff Hutchison @geoffhutchison.net · 19/04/2026Wish me luck - for my undergrad "Math for Chemistry" class (for @pittchemistry.bsky.social majors) .. I'm going to give a lecture tomorrow about ML and LLMs. I think I fit the basics in… Discussion question: "Why can a model like ChatGPT give fluent but wrong chemistry answers? #chemsky 1181
Geoff Hutchison @geoffhutchison.net · 15/04/2026When Biden took office, he suggested that international students receiving a PhD in the US should get a green card if they want one. Several students in my program were really excited - they wanted to stay. It never materialized. Not every job wants to sponsor an H1B, particularly now. 071
Reposted by Geoff HutchisonPitt Chemistry @pittchemistry.bsky.social · 14/04/2026The David M. Hercules Fellowship Award recognizes an outstanding graduate student or postdoctoral researcher, with particular emphasis on scientific creativity, independence, leadership, and the ability to collaborate across disciplines. Our 2026 awardee is Shubhankar Kundu! Congrats Shubhankar! 031
Reposted by Geoff HutchisonUndark Magazine @undark.org · 09/04/2026Chemist Brett Pollard and colleagues found roughly 20 papers citing water safety standards attributed to the WHO and EPA that, according to the researchers, those agencies never produced. f.mtr.coolScientific Journals Need Dedicated Fact-CheckersOpinion | An additional layer of quality control could help academic publishers weed out problematic content before it propagates. 085
Reposted by Geoff HutchisonAvogadro Project @avogadro.cc · 07/04/2026One week of Avogadro 2.0 highlights - and we're just getting started… Download: avogadro.cc/install/ Join the community: discuss.avogadro.cc Thanks to everyone who helped make this release happen. Open science is a team effort! Got ideas on where to go next? 🧪 ⚗️ #opensource #openscience #compchem 191
Geoff Hutchison @geoffhutchison.net · 06/04/2026Got ideas? Or know a Python package that could use a GUI? Let me know… 241
Reposted by Geoff HutchisonAvogadro Project @avogadro.cc · 05/04/2026Sometimes you just want to see a molecule move. Run a quick MD simulation without leaving Avogadro — no scripts, no setup. The new auto-optimize tool includes a dynamics mode. Watch it move in real time. Great for teaching. Great for intuition. Just fun to watch. #openscience #compchem #opensource 1213
Geoff Hutchison @geoffhutchison.net · 04/04/2026Volumetric rendering has been on my wish list for years, and we’ve got a 20-25x speed up coming this summer for orbitals and electron density. 190