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lonepair.bsky.social
Virtual Chemist; Professor #ImperialCollege; Editor #JACS; Liúdramán; Personal Opinions; He/Him
122 posts 1,283 followers 784 following
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We appreciate Aron @lonepair.bsky.social for your truly inspiring talk in Tokyo! We had great discussions and enjoyed good seafoods. We look forward to hosting your longer stay next time!!

Stand with UKRAINE! #standWithUkraine

Follow all your favorite @rsc.org journals now on Bluesky! Let the posting begin! 🥳🧪 #chemsky go.bsky.app/QAaTTZ3

I found my new wallpaper: calculatingempires.net. A quite incredible mapping of technology and #AI

Even the brightest students can have #misconceptions. Case-based learning modules enhance the critical analysis of crystallographic issues, helping overcome misconceptions and deepen understanding. #Crystallography #Education #CaseStudy 🥳🥳 doi.org/10.1021/acs.... #JCE

Although the University of Reading has decided not to close its chemistry department, it is still ending recruitment for MSc and MChem programmes and only supporting research aligned with allied health professions, dentistry, nursing and pharmacy. www.chemistryworld.com/news/changes... #chemsky

Undergraduate research opportunities are incredibly valuable, both for the students and for the progress of the work. And having undergraduate research experience is a massive help for grad school admission. REU cancellations harm students’ preparedness & career prospects, and slow research progress

Account on X is now finally also deactivated. Besides trying to save our democracy, and avoiding wars, we need to build open communication platforms that cannot be easily used and bought.

No, the paper Microsoft published in @nature.com yesterday did not prove the existence a topological qubit — contrary to what you may have read in some other places www.nature.com/articles/d41...

We have unveiled this amazing picture of the iconic Old Joe clocktower by School alumnus Lucy Walker, drawn using molecules, in the foyer of our new home the Molecular Sciences Building #chemsky

Neural network potential pioneer Jörg Behler (journals.aps.org/prl/abstract...) in London to share his wisdom with the Thomas Young Centre this evening #CompChem

The first #JACS paper with Egyptian hieroglyphs? #ChemSky pubs.acs.org/doi/10.1021/...

🚀 First Bluesky Post! 🎉 VMD 2.0 Alpha is here! Released today at BPS 2025, this is the biggest update in 30 years—new UI, real-time ray tracing, fast surfaces, UHD & touchscreen support. Monthly updates coming in 2025! Try it now! #VMD #BPS2025 #MolecularVisualization www.ks.uiuc.edu/Research/vmd...

Final week of my intense MLforMaterials (covert #CompChem) module. We've come a long way in a month 😅

Alas, no mention of Atkins’ Physical Chemistry, but a great 🧵

Exciting collaboration with LNCE (EPFL)! We discovered a previously unreported copper nanocrystal shape by introducing a surface energy scale in our Bayesian optimization loop (-> Rhombic Dodecahedron)! Congrats to BOjana and LUDO! Read the full story (open access) pubs.acs.org/doi/10.1021/....

It was our pleasure this week to host Prof. Jenny Nelson from @imperialcollegeldn.bsky.social and present her with the @rsc.org 2024 Faraday Lectureship Prize for her contributions to the understanding and development of novel electronic materials for solar energy conversion. #chemsky

Maybe with all that is going on in the states no one noticed, but in the Netherlands the university of Twente has fired 46 people from the chem department. One of them is Jeroen Cornelissen. A giant in the field #chemsky www.utoday.nl/news/75215/p...

Come to #accelerate25 the premier conference on #aiformaterials #selfdrivinglabs #chemsky Please RT

My two most common editorial suggestions for manuscripts I handle are: (i) improve writing style by avoiding exaggerated terms, and (ii) ensure machine learning studies include a repository for reproducibility and reuse of models and data #EditorLife #ChemSky

In the light of the US dismantling DEI, if there are any US chemistry departments/companies who would like an online webinar on #LGBTSTEM issues, I can give one. I offer three variants (details in AltText). Happy to do at no personal charge, but will insist on a donation to local US LGBT+ charities.

The crystallographer in me loves the tilings of Marrakech 😎

ÅNGSTRÖM-RESOLUTION IMAGING OF CELL-SURFACE GLYCANS 🧬🎨🍬 The glycocalyx, our cells' sugar coat, holds secrets in immunology, cancer, viral infections, and more. Visualizing its molecular architecture was impossible… until now. #glycotime #microscopy www.biorxiv.org/content/10.1...

A strong message for @acs.org and @apsphysics.bsky.social to shout loudly for scientists who need their support more than ever

Derek Lowe highlighting that journal publishers Sage, that aren't associated with the US government, are just casually obeying in advance to erase an entire group of people from other's research. COPE are going to be busy and Sage should be dragged for this given their attempts at censorship.

It really says a lot about the state of the world when this is one of the least alarming headlines I've read all day.

Hi everyone! I am Leticia Madureira, a PhD Candidate at CMU (Carnegie Mellon) in Chemistry. My work involves Quantum Chemistry and Catalysis, please follow me on GitHub🤗 I'm working with #juliaLang, #python and #rustlang applied to #compchem github.com/Leticia-maria

In 2020, we predicted that hydrogen doping could be key to overcoming the efficiency bottleneck of kesterite solar cells pubs.rsc.org/en/content/a.... It's neat to see the strategy working for Cu₂ZnSnS₄ in 2025! www.nature.com/articles/s41... #ChemSky

🌟IOP Publishing is now on Bluesky!🌟 Follow along for the latest in science, research, and innovation. We're excited to start new conversations and explore the future of discovery together! ⚛️

The latest version of 𝙙𝙤𝙥𝙚𝙙 (and 𝑺𝒉𝒂𝒌𝒆𝑵𝑩𝒓𝒆𝒂𝒌), our defect modelling python packages, have been released! Incl: - Major efficiency updates - Advanced defect/carrier thermodynamics w/custom constraints - Auto shallow defect handling - CC diagram generation ...🧵👇

You can now register to join us at AIchemy's first annual conference

#CompChem consequence: be cautious with predictions of exotic properties based on "ideal" structures

This should be standard practice, especially when key methods and #CompChem codes are not in the main text, e.g. for Physical Review: "All references cited in the Supporting Materials should be listed in the reference section of the main text" journals.aps.org/authors/supp...

I am one of these NSF postdocs. NSF has frozen everyone’s access to their salaries and research stipends (that were already awarded) with no information about when they might be expected to be unfrozen. It still appears like we are expected to continue doing our work though.

We discovered an incommensurately modulated phase K₁₋ₓCrSe₂ — one of the rare cases where structural modulation enhances magnetic interactions. This has intriguing implications for low-dimensional magnets! Check out our paper in #JACS: doi.org/10.1021/jacs... #MaterialsChemistry #Magnetism #ChemSky

Always good to be back at @cecamevents.bsky.social in Lausanne! By the way, check out the new program at www.cecam.org/program

Best science thread on bluesky to date

Interactions with Deepseek R1 (github.com/deepseek-ai/...) are eerie. In fairness, I am not sure I want anyone to follow my thought process #CompChem

A switch to the Optimade API (www.optimade.org) for my undergrad lecture on materials data this year. Final checks that the Python scripts still run 😅 Check out these 8 component beauties #ChemSky