It's that time of the year again: the #DFTPoll has opened again. Poll: dftpoll.fillout.com/2026 Background: www.marcelswart.eu/dft-poll/ind... Open until Oct. 1, 2026

I am concerned that researchers like me, whose work may be supported by #EPSRC but requires access to #STFC facilities, aren’t talking enough about the impacts that budget cuts will have on our ability to do science. I have written my thoughts down here: mccluskey.scot/2026/03/09/t....

On this day, 36 years ago, the #VelvetRevolution began. Students gathered in Prague and demanded more democracy. A peaceful movement that changed the course of history — and still inspires Europe today.

Discover how well electronic-structure methods perform to describe dark transitions for atmospheric molecules! Our recent work, led by @danielhollas.bsky.social, tests them in the Franck-Condon region and beyond! #compchem @pubs.acs.org @bristoluni.bsky.social doi.org/10.1021/acs....

Benchmarking Electronic-Structure Methods for the Description of Dark Transitions in Carbonyls at and Beyond the Franck–Condon Point

Herein, we propose a comprehensive benchmark of electronic-structure methods to describe dark transitions, that is, transitions to excited electronic states characterized by a near-zero oscillator str...

doi.org

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-... 🧵

The official home of the Python Programming Language

python.org

Distilling atomistic foundation models! ⚗️🧪🤖 In this #compchem preprint, we describe a general (“architecture-agnostic”) approach to creating fast, application-specific MLIP models via synthetic data – led jointly by @jla-gardner.bsky.social & @dft-dutoit.bsky.social arxiv.org/abs/2506.10956

Distillation of atomistic foundation models across architectures and chemical domains

Machine-learned interatomic potentials have transformed computational research in the physical sciences. Recent atomistic `foundation' models have changed the field yet again: trained on many differen...

arxiv.org

Job alert ! I am looking for a postdoc to work on "computational investigation of ion-effects in ribozyme catalysis" to work with me in Paris (France). 1-year contract funded by @agencerecherche.bsky.social, with possible 2nd year in collab. with P. Jungwirth @iocbprague.bsky.social #compchem #RNA

👋Hallo there! The registration for the SusML workshop is OPEN! Join us in discussions on topics such as data-efficient ML-based methodologies and the inverse property-to-structure problem. See you at @tudresden.bsky.social in Germany! 👉More information: susml.net Stay tuned for more updates!😉

Open PhD position in computational materials chemistry As part of my Villum Young Investigator project "Entropy in materials design: Accelerated discovery of disordered solid electrolytes", I am looking for PhD student to join my group. Please share with anyone interested! #compchem #chemsky

PhD Stipend/Integrated PhD Stipend In Computational Materials Chemistry

A PhD stipend or integrated PhD stipend in computational materials chemistry is available. Development of new sustainable energy materials, including materia...

vacancies.aau.dk

Pass it on. #StandWithUkraine

I will keep the letter open until 3rd March, the date of the meeting called by the Royal Society to discuss principles around the public pronouncements and behaviours of its fellows. So one more week to add your voice to the call for the RS to stand up for its values.

Stephen Curry@scurry.bsky.social · 2y ago

There are now over 3000 signatories to my letter asking the Royal Society to explain why it has taken no action and said nothing about evident contraventions of its code of conduct by Elon Musk FRS. forms.gle/dBGaHk7SYUNA...

Excited to be recruiting a PhD student at Durham! 🎉  Fully-funded position in digital supramolecular chemistry, combining machine learning and lab automation. Think robot chemists! 🤖🧪 www.findaphd.com/phds/project... #phd #chemistry #ai #machinelearning #automation #durham #research #science

AI and laboratory automation for supramolecular chemistry and molecular recognition at Durham University on FindAPhD.com

PhD Project - AI and laboratory automation for supramolecular chemistry and molecular recognition at Durham University, listed on FindAPhD.com

findaphd.com

What if you built a billion-story building? Watch the latest What If? video collaboration with MinuteEarth! youtu.be/Z_xJ40QXu7Q

What if you built a billion-story building?

YouTube video by xkcd's What If?

youtu.be

*chefs kiss* arxiv.org/abs/2501.00536

Phase behavior of Cacio and Pepe sauce

"Pasta alla Cacio e pepe" is a traditional Italian dish made with pasta, pecorino cheese, and pepper. Despite its simple ingredient list, achieving the perfect texture and creaminess of the sauce can ...

arxiv.org

We're offering a PhD position in our lab as part of the MSCA Lumiere network. Focus: Modeling time-resolved photoemission in liquid phase, X-ray spectroscopies, and photodynamics. Learn more and apply here: www.euraxess.cz/jobs/310398 #PhD #ResearchOpportunity #CompChem

PhD position in modelling (time-resolved) photoemission spectra in the condensed phase - MSCA doctoral network LUMIERE

In the framework of the EU-funded Marie Skłodowska-Curie Actions Doctoral Network LUMIERE - “Liquid phase Ultrafast photoeMIssion spEctroscopy of nonadiabatic photoREactions in biomimetic systems”, UC...

euraxess.cz

Join us in beautiful Prague to study molecular physics. My group is offering a PhD position at UCT Prague, Czechia related to #protein - #RNA interactions. For more details, visit mhko.science/p/positions/ or contact us directly at positions@mhko.science.

1 week left to apply for this fully funded #compchem PhD opportunity part of the EU Marie Curie Doctoral Network, “CATALOOP” 🗓 Deadline: 31/01/2025 📥 How to Apply: submit your application via the university portal shorturl.at/nHyAo

Fernanda Duarte@fjduarte.bsky.social · 2y ago

We are seeking an outstanding #PhD candidate to join our team (www.duartegroupchem.org)! If you know potential candidates interested in combining #ML and #compchem reaction modelling for catalyst design, please share this opportunity with them! 🗓 Deadline: 31/01/25 📥 Application: shorturl.at/nHyAo

Now that 2025 is here, just wanted to highlight the opening we have for an Organic Chemistry Lectureship at St Andrews again. Applications close in about two weeks on 22nd January. All the details in the link. www.vacancies.st-andrews.ac.uk/V2/ViewVacan...

We are seeking an outstanding #PhD candidate to join our team (www.duartegroupchem.org)! If you know potential candidates interested in combining #ML and #compchem reaction modelling for catalyst design, please share this opportunity with them! 🗓 Deadline: 31/01/25 📥 Application: shorturl.at/nHyAo

Open #postdoc position in *Organic/Medicinal Chemistry* for generative #AI in Drug Discovery — join us @tueindhoven.bsky.social 💪🏻 Funded by the European Research Council (ERC). Deadline: Jan 15, 25 jobs.tue.nl/nl/vacature/... Repost appreciated!

Postdoc In Organic/Medicinal Chemistry for generative AI in Drug Discovery

De TU/e is voortdurend op zoek naar wetenschappelijk en niet-wetenschappelijk personeel om haar ambities waar te maken. Kijk hier voor ons actuele vacatureaanbod.

jobs.tue.nl

PhD opportunity! Interested in #compchem, organic materials e.g. #graphene, chemical #machine_learning? Want to be a part of a dynamic research family? Apply for a PhD @uobchemistry.bsky.social in our group. Deadline 3.2.2025, UK home fees, email me for details! #PhDjobs #PhDchemistry

📣 Postdoc position in computational materials chemistry available I am looking for a postdoc to join my group and work on computational design of disordered crystalline materials Read more and apply here: www.vacancies.aau.dk/scientific-p... Repost are highly appreciated! #compchem

Postdoc in Computational design of disordered crystalline materials (2024-224-06155)

A postdoc position in computational materials chemistry is available to design sustainable materials with tailored disorder using computational chemistry and...

vacancies.aau.dk

We have a PhD position in Molecular chemical physics at UCT Prague, Czechia. It is closely related to our research of the evolution of #protein-RNA interactions. A pre-PhD #internship available from January 2025. Apply directly by email to positions@mhko.science.

Hello! I'm posting this both here and on the X-rated site, let's see where it gets more re-posts 😇. We are looking for a research software engineer to help us develop (even) better code for #compchem #atomicscale #machinelearning. Check out the specs and apply! www.epfl.ch/labs/cosmo/i...

Jobs

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epfl.ch

We are hiring (resharing appreciated)! Given recent successful grant applications (I got my SNSF Starting Grant 🚀), we are extending the LIAC team with multiple openings (PhD/postdoc) for 2025. Apply now (deadline: December 20th) by filling in this form: forms.fillout.com/t/eq5ADAw3kkus. #ChemSky

Open postdoc position available in my group in AI-assisted molecular simulations: https://www.rug.nl/about-ug/work-with-us/job-opportunities/?details=00347-02S000B1LP&cat=wp #aichem

OK #chemsky do your thing. I have an immediate PhD vacancy working on a MOF / crystallography / electron diffraction project with Syngenta. Home fees and stipend are covered. Spread the word!

Come work with us - this is still open to applications: www.bristol.ac.uk/jobs/find/de... until 8th December.