I've been thinking about the Rubik's cube in 4D. I found an old java version from by Don Hatch and Melinda Green and decided to ask claude to port it to a standalone web app that can run in your browser. You can play it here: theoryandpractice.org/cube4d/ Blog: theoryandpractice.org/2026/07/four...

I am sorry to see this. What a remarkable career. I was literally wondering about a problem related to Marcus theory yesterday.

Chemistry World@chemistryworld.com · last wk.

Across the three US research institutions where Marcus taught and conducted research, Caltech estimates that he mentored more than 100 postgraduate students and postdocs, on top of hundreds more undergraduates. @rebeccatrager.bsky.social #ChemSky www.chemistryworld.com/news/chemist...

Across the three US research institutions where Marcus taught and conducted research, Caltech estimates that he mentored more than 100 postgraduate students and postdocs, on top of hundreds more undergraduates. @rebeccatrager.bsky.social #ChemSky www.chemistryworld.com/news/chemist...

Chemistry Nobel laureate Rudy Marcus passes away just before turning 103

Theoretical chemist who came up with one of his most important ideas in a just month also mentored more than 100 young researchers

chemistryworld.com

The @rsc.org is hiring a content development editor! Join the #EditorsLife in Washington, DC 😊 The position includes commissioning, community engagement, and scientific outreach #ChemSky #ChemistryJobs #AcademicPublishing @chemjobber.bsky.social rsc.wd103.myworkdayjobs.com/RoyalSociety...

New Paper in #𝐆𝐫𝐞𝐞𝐧𝐂𝐡𝐞𝐦𝐢𝐬𝐭𝐫𝐲 ➡️ 𝐒𝐮𝐬𝐭𝐚𝐢𝐧𝐚𝐛𝐥𝐞 𝐚𝐧𝐝 𝐫𝐞𝐜𝐲𝐜𝐥𝐚𝐛𝐥𝐞 𝐩𝐨𝐥𝐲𝐦𝐞𝐫 𝐜𝐨𝐥𝐨𝐫𝐢𝐧𝐠 𝐬𝐲𝐬𝐭𝐞𝐦 𝐯𝐢𝐚 𝐬𝐢𝐳𝐞-𝐭𝐮𝐧𝐚𝐛𝐥𝐞, 𝐩𝐢𝐠𝐦𝐞𝐧𝐭-𝐞𝐧𝐜𝐚𝐩𝐬𝐮𝐥𝐚𝐭𝐞𝐝 𝐬𝐢𝐥𝐢𝐜𝐚 𝐦𝐢𝐜𝐫𝐨𝐬𝐩𝐡𝐞𝐫𝐞𝐬: 𝐞𝐧𝐚𝐛𝐥𝐢𝐧𝐠 𝐜𝐢𝐫𝐜𝐮𝐥𝐚𝐫 𝐞𝐜𝐨𝐧𝐨𝐦𝐲 𝐨𝐟 𝐩𝐥𝐚𝐬𝐭𝐢𝐜𝐬 🔗 doi.org/10.1039/d6gc... Press release: www.omu.ac.jp/en/info/rese... @rsc.org #PlasticRecycling #CircularEconomy

Join our next #RSCDesktopSeminar with Xinyue Liu and @wanglabuiuc.bsky.social presenting their #Biomaterials research! Chaired by yours truly 😀 Register today and join the live Q&A ➡️ rsc.li/4wLO1Jk #Bioengineering #Hydrogels #CancerImmunotherapy #ChemSky

Commuting by train for the first time since moving to the DMV area due to the #RedLine (partial) shutdowns. The train is about 30 minutes late. #MatteoSalvini, is this you?

🖥️Join us for the next RSC Desktop Seminar: Photopolymers for Additive Manufacturing! Katharina Ehrmann from TU Wien will be presenting on 16 July at 2pm BST/3pm CEST. Sign up now⤵️ rsc.zoom.us/webinar/regi... @tuwien.bsky.social @chemistry-tuw.bsky.social #photopolymers #additivemanufacturing

📢 We're hiring a PhD student (4 years) in computational chemistry at Freie Universität Berlin. Research on molecular dynamics, molecular kinetics, rare events & machine learning. Apply by 3 Aug 2026: jobs.fu-berlin.de/job/Research... #CompChem

I’m hiring a postdoc at Sandia National Laboratories in Livermore, CA, USA to develop and apply molecular dynamics theory. Please forward to potentially interested candidates. Job ID: 698224. cg.sandia.gov/psc/applican...

We’re delighted to announce that our 2025 Journal Impact Factor has increased to 𝟏𝟎.𝟔, up from 𝟗.𝟐 last year🎉 Discover our full set of metrics here ➡️ www.rsc.org/publishing/j... Thank you to everyone who contributes to maintaining the high standards of 𝐆𝐫𝐞𝐞𝐧 𝐂𝐡𝐞𝐦𝐢𝐬𝐭𝐫𝐲! #GreenChemistry @rsc.org

Hooray! doi.org/10.1088/2516...

Roadmap on Advancements of the FHI-aims Software Package

Roadmap on Advancements of the FHI-aims Software Package, Blum, Volker, Kokott, Sebastian, Rossi, Mariana, Scheffler, Matthias, Abbott, Joseph W. W., Mera Acosta, Carlos, Akkoush, Alaa, Ambrosetti, Alberto, Atalla, Viktor, Bagrets, Alexej, Behler, Joerg, Berger, Daniel, Bieniek, Björn, Björk, Jonas, Bohloul, Saeed, Box, Connor L., Boyer, Nicholas James, Brambila, Danilo Simoes, Bramley, Gabriel A., Bryenton, Kyle R., Camarasa-Gómez, María, Carbogno, Christian, Caruso, Fabio, Chutia, Sucismita, Ceriotti, Michele, Csányi, Gábor, Dawson, William, Delesma, Francisco A., della sala, fabio, Delley, Bernard, DiStasio, Robert, Dragoumi, Maria, Driessen, Sander, Dvorak, Marc, Erker, Simon, Evers, Ferdinand, Fabiano, Eduardo, Farrow, Matthew R., Fiebig, Florian, Filser, Jakob, Foppa, Lucas, Gallandi, Lukas, Garcia, Alberto, Gehrke, Ralf, Ghan, Simiam, Ghiringhelli, Luca, Glass, Mark, Goedecker, Stefan, Golze, Dorothea, Green, James A., Grisafi, Andrea, Grüneis, Andreas, Günzl, Johannes Jan, Gutzeit, Stefan, Hall, Samuel J., Hanke, Felix, Havu, Ville, He, Xingtao, Hekele, Joscha, Hellman, Olle, Herath, Uthpala, Hermann, Jan, Hernangómez-Pérez, Daniel, Hofmann, Oliver T, Hoja, Johannes, Hollweger, Simon, Hörmann, Lukas, Hourahine, Benjamin, How, Wei Bin, Huhn, William P., Hülsberg, Marcel, Panahian Jand, Sara, Jiang, Hongbing, Johnson, Erin, Jürgens, Werner, Kahk, Juhan Matthias, Kanai, Yosuke, Kang, Kisung, Karpov, Petr, Kempt, Roman, Khan, Danish, Kick, Matthias, Klein, Benedikt P., Kloppenburg, Jan, Knoll, Alexander, Knoop, Florian, Knuth, Franz, Köcher, Simone S., Kockläuner, Jannis, Körzdörfer, Thomas, Kowalski, Hagen-Henrik, Kratzer, Peter, Kus, Pavel, Laasner, Raul, Lang, Bruno, Lange, Björn, Langer, Marcel F, Larsen, Ask Hjorth, Lederer, Hermann

doi.org

Happy #ImpactFactorDay to all those who celebrate #EditorsLife

So happy to have played a small part in celebrating these #compchem rising stars! Congratulations to the winners!! #ICQC2026

Digital Discovery@digital-discovery.rsc.org · 2mo ago

We're delighted to announce the poster prize winners from the 18th International Congress on Quantum Chemistry. The awards, sponsored by @chemicalscience.rsc.org, Digital Discovery, and @pccp.rsc.org, go to:

Amazing @fhi-aims.bsky.social Developer and User Workshop last week. I knew the program was packed with good things but I was still amazed by how far we've come. events.ms1p.org/event/18/pag...

FHI-aims Developers' and Users' Meeting 2026

ELECTRONIC STRUCTURE THEORY WITH NUMERIC ATOM-CENTERED BASIS FUNCTIONS June 10 – June 12, 2026In-person participation at Max Planck Institut for the Structure and Dynamics of Matter (MPSD)Rooms 131+13...

events.ms1p.org

AND the FHI-aims Roadmap article was provisionally accepted by Electronic Structure during the opening afternoon of the workshop. 206 coauthors and the most comprehensive overview we ever wrote (21+ years!). Can't wait to see the journal version - hopefully really soon now. arxiv.org/abs/2505.00125

Roadmap on Advancements of the FHI-aims Software Package

Electronic-structure theory is the foundation of the description of materials including multiscale modeling of their properties and functions. Obviously, without sufficient accuracy at the base, relia...

arxiv.org

Volker Blum@aimsduke.bsky.social · 2mo ago

Amazing @fhi-aims.bsky.social Developer and User Workshop last week. I knew the program was packed with good things but I was still amazed by how far we've come. events.ms1p.org/event/18/pag...

#Compchem

Marcel Swart@marcelswart.bsky.social · 2mo ago

Congratulations @aspuru.bsky.social with the 2026 @rsc.org #ChemSci prize!! www.rsc.org/standards-an...

In 20 years, Newton-X evolved from a surface-hopping code into a vast MQCD platform that also includes Ehrenfest and multiple spawning dynamics. Check what's new in Newton-X 26 #CompChem paper. 🧪 doi.org/10.1039/d6cp...

The Newton-X platform for mixed quantum–classical dynamics

Mixed quantum–classical dynamics (MQCD) methods are effective models for excited-state processes in quasi-classical molecular systems, in which nuclear motion is described by classical trajectories wh...

doi.org

📣 Calling all researchers in #nanoengineering, #biomaterials, and #medicine! We are looking for all your exciting new developments, please consider submitting! #EditorsLife

Nanoscale Journals@nanoscale-journals.rsc.org · 2mo ago

Nanoscale Advances is pleased to announce an open call for papers for the upcoming themed collection Nanoengineering for biomaterials and medicine. 🔧 🩺 📆 Submit by November 30th 2026 🔗 Find out more: www.rsc.org/publishi... #nanoscience #nanotechnology #biomaterials

A new member of the El Agente family - “El Agente Seguro: An Agent for Chemical Safety” is now on ChemRxiv 🤖 🔗 chemrxiv.org/doi/full/10.... It focuses on one of the most important challenges for AI-driven chemistry and self-driving laboratories: safety. [1/7]

Marjane Satrapi passed away, from a broken heart. Travel safe 🕯️ Punk is not dead. 1969-2026

⏰ 24 hours left to submit a nomination for the Journal of Materials Chemistry Lectureship (@rsc.org, @jmaterchem.rsc.org)! Read about this prestigious early-career Lectureship here: www.rsc.org/standards-an... Submit your nomination by 11:00am BST on Friday, 5 June 2026! #matsky #materials

If not now, when? This is an emergency.

Action! Action Now.

science.org

Postdoc openings on experimental data integration integration into BioEmu-next, focusing on cryo-EM and binding affinities. Join us at @msftresearch.bsky.social Cambridge or Berlin. #AI #MachineLearning #Protein #Biology apply.careers.microsoft.com/careers/job/...

AI for Science Postdoctoral Researcher - Biomolecular AI & Experimental Data Integration | Microsoft Careers

Design and scale experimental datasets for ML Develop workflows that connect noisy experimental signals to actionable model insights 1. Bridging Models with Real-World Experimental Signals Develop met...

apply.careers.microsoft.com

I won’t say what my favorite functional is, but I will say that I’ll be filling out the #DFTPoll right away 😊

Marcel Swart@marcelswart.bsky.social · 2mo ago

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

Lynn is #hiring! #ChemJobs #Compchem #ChemSky @chemjobber.bsky.social #ChemPostdocs

Caroline Lynn Kamerlin ☀️@lynnkamerlin.bsky.social · 2mo ago

Are you interested in understanding protein dynamics and allostery in biomedically relevant "loopy" enzymes? We are looking for postdocs to join our group at GT for both applied and method development work. If you are interested, please email me your CV, cover letter, and details of 2-3 referees.

📢 We are delighted to announce that Professor Alán Aspuru-Guzik @aspuru.bsky.social has won the 2026 Chemical Science Lectureship! (rsc.li/chemsci-lectureship26) Alán will deliver his Lectureship at the 2026 #ChemSciSymposium on 29–30 October in London, UK: rsc.li/chemscisymp2026 #ChemSky #🧪

#postdoc position in our lab explore.jobs.ufl.edu/en-us/job/53...

𝙀𝙣𝙫𝙞𝙧𝙤𝙣𝙢𝙚𝙣𝙩𝙖𝙡 𝙎𝙘𝙞𝙚𝙣𝙘𝙚: 𝘼𝙩𝙢𝙤𝙨𝙥𝙝𝙚𝙧𝙚𝙨 𝗛𝗢𝗧 𝗮𝗿𝘁𝗶𝗰𝗹𝗲 𝗼𝗳 𝘁𝗵𝗲 𝘄𝗲𝗲𝗸! ❤️‍🔥 The Global Atmospheric Cycle of Forever Chemicals: A Review of PFAS Distribution, Wet Deposition, and Atmospheric Fate (Hayeck 𝘦𝘵 𝘢𝘭.)➡️ pubs.rsc.org/en/cont... #EnvSci #PFAS