Very cool!
28.02.2026 15:08 — 👍 1 🔁 0 💬 0 📌 0Very cool!
28.02.2026 15:08 — 👍 1 🔁 0 💬 0 📌 0
Has @avogadro.cc helped your research? Teaching?
As we prepare Avogadro 2.0 for release this spring, I'm hoping to feature some stories (and citations).
#compchem #opensource #openscience ⚗️
Let me know:
discuss.avogadro.cc/t/avogadro-s...
Yes. I totally agree about conference travel sustainability
16.01.2026 16:45 — 👍 1 🔁 0 💬 0 📌 0
Illustrative image for the SC4RC conference
Interested in environmentally sustainable research computing? Then join us for a conference taking place at CERN on May 4-8, 2026.
SC4RC, the sustainability conference for responsible research computing.
Website: www.sc4rc.org
Registration and abstract submission currently open.
Those Fuckers Were Making It Up This Whole Time: An Exposé of “Electrochemistry"
PDF: www.immaterialscience.org/2025/electro...
Looking for a PhD student in Theoretical Chemistry to investigate the diffusion of radionuclides and decay products (Zr) through rock minerals. First principles + KMC + ML
Deadline: Jan 9th
Details+Apply: www.verw.tu-dresden.de/StellAus/ste...
#PhDlife #PhDjobs #Academia #Chemjobs ⚛️🧪 #CompChemSky
Really looking forward to it. Getting up for a 7 am train was a bit grim though
12.12.2025 08:24 — 👍 0 🔁 0 💬 0 📌 0
Despite having been a member for about 25 years, today marks my first visit to @rsc.org
Formulations 4.0 meeting
Are you looking for an exciting project to develop novel wavefunction theory for open-shell ground and excited states in molecules?
We have an postdoctoral opening at @uclchemistry.bsky.social. Deadline 15-Dec-25.
Find out more at www.hughburton.com
www.jobs.ac.uk/job/DPR288/r...
Attended a conversation / talk by Clive Humby. Fascinating insights into the stories and insights that can arise from data
26.11.2025 19:42 — 👍 2 🔁 0 💬 0 📌 0
To me “the calculation took 7 hours of compute time” sounds slightly better than “the calculation took 7 hours of computing time”.
Perhaps I’m just indoctrinated 🤷♂️
It’s been a term within High-Performance Computing for a very long time.
14.11.2025 18:20 — 👍 2 🔁 0 💬 1 📌 0
Join us for our Chemistry World webinar delving into the extraordinary life of Walter Kohn. Register now.
Do you want to learn about the life of Walter Kohn, Nobel prize-winning chemist and physicist? Join us for our webinar focused around a newly published biography that delves into Kohn’s extraordinary journey – author Sir David Clary will join us live.
Register: https://rsc.li/3LwkwbX #ChemSky
Know anyone who would be interested in a PhD using experiments and machine learning to help address anti-microbial resistance? They might like to take a look at this studentship available in Sheffield (I'm helping to supervise the ML part). www.findaphd.com/phds/project...
29.10.2025 11:28 — 👍 3 🔁 1 💬 0 📌 0
#compchem #machinelearning #quantumcomputing
We have several open positions & we are looking for:
- 2 postdocs in machine learning to work on foundation models (theoretical developments)
- 2 HPC engineers: quantum computing(1); ab initio computations and QM/MM (2)
Reach to me for more details.
TLDR; The PSF has made the decision to put our community and our shared diversity, equity, and inclusion values ahead of seeking $1.5M in new revenue. Please read and share. pyfound.blogspot.com/2025/10/NSF-...
🧵
Smells like a way to reward the PIs with huge groups. About time we had one of those 🙄
26.10.2025 11:33 — 👍 4 🔁 0 💬 0 📌 0Do you want to invent the future of Chemistry with us? We‘re looking for a "Digital Native” Organic Chemist to join our team at Microsoft Research AI for Science. We offer an amazing environment where you can do deep research with passionate and talented colleagues to solve problems that matter! 1/2
16.10.2025 22:06 — 👍 16 🔁 14 💬 1 📌 0
🚀 Exciting PhD in Manchester!
Work with Andrew Leach, Lia Sotorrios & me, plus a placement at MedChemica Ltd. Combine computational chemistry, AI & drug design to explore how generative AI can accelerate new medicine discovery.
#CompChem #PhDStudentship
📩 www.findaphd.com/phds/project...
It obviously happened when I was an undergrad then - 98-02.
11.10.2025 20:16 — 👍 0 🔁 0 💬 0 📌 0I think that rebuild happened during my PhD, and was gutted when there was no longer a car “crashing” through the college bar wall.
11.10.2025 20:07 — 👍 1 🔁 0 💬 1 📌 0As a former Alcuin student, I can only agree 😉
11.10.2025 19:58 — 👍 1 🔁 0 💬 2 📌 0
🚀 Last Friday, the University of Leeds hosted our RAG Models & AI Agents in Chemical Discovery and Development Workshop.
We were delighted to welcome 36 leading experts from academia, industry, and funding bodies.
Read the workshop blog here
👉 buff.ly/rNnNeXe
#AI #Chemistry #Innovation
Age yourself with a tech problem you solved.
SCSI terminator had fallen off
I'm also going to take this opportunity to advertise again that I'm recruiting postdocs to work in my group. If you have an interest in quantum dynamics, excited states, electron/energy transfers, or other things my group does (see here faygroupucla.github.io) please do get in touch.
08.09.2025 17:06 — 👍 3 🔁 1 💬 0 📌 0
Bubbling with ideas after the @aichemyhub.bsky.social meeting on GenAI in chemical education.
One of the more ambitious ones may be “can you use AI to identify when marking / feedback isn’t consistent with the assessment criteria?”
And, of course, the train is running late
21.07.2025 08:25 — 👍 0 🔁 0 💬 0 📌 0
On my way to London (Imperial) for a meeting on GenAI in Chemical Education
Looking forward to getting some ideas on how to incorporate into UG programmes
We're finishing up a new release, but trying to track down some bugs 🪲 #compchem
Some Windows users report Avogadro 1.99 won't even launch. If this is you and you're willing to test a new build, please let us know at discuss.avogadro.cc
