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Pierpaolo Morgante (He/His)

@piermorgante.bsky.social
2.3K followers 1.6K following 484 posts

Content development editor @rsc.org focusing on North America. Theoretical chemist. LEGO fan. #DFT #compchem #chemistry #DogsofCompChem #Quantum Proud member of #ChemSky Personal+work account (all views my own) 📍Washington, DC metro area

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Reposted by Pierpaolo Morgante (He/His)
Marcel Swart @marcelswart.bsky.social · 01/10/2026
That's a wrap #DFTPoll #CompChem News item coming soon
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Marcel Swart @marcelswart.bsky.social · 28/09/2026
Final days of the 2026 edition of the #DFTPoll dftpoll.fillout.com/2026 www.marcelswart.eu/dft-poll/ind... October 1 is around the corner... #CompChem #ChemSky
dftpoll.fillout.com
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Marcel Swart @marcelswart.bsky.social · 23/09/2026
Harry Gray is listed by Clarivate as one of the front runners for the #ChemNobel, via @chemistryworld.com #bioinorganic #chemsky www.chemistryworld.com/news/who-wil...
chemistryworld.com
Who will win the 2026 Nobel prize in chemistry?
Annual list of 'citation laureates' includes scientists behind base editing, self-assembled monolayers, and those who improved our understanding of electron transfer in proteins
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Alán Aspuru-Guzik @aspuru.bsky.social · 21/09/2026
Come work for @thematterlab.bsky.social with @variniabernales.bsky.social ! See below!
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Pierpaolo Morgante (He/His) @piermorgante.bsky.social · 03/09/2026
I've realized I haven't posted under #DogsofCompChem for far too long. Since it is #TongueOutThursday (yes, I've made that up), here is a picture of Pebbles doing what she does best: Assisting #SpareHooman (me) while doing some #EditorsLife stuff @rsc.org
A picture of my dog with her tongue out
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Pierpaolo Morgante (He/His) @piermorgante.bsky.social · 19/08/2026
📆 Save the date 📆 #ChemSky
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Reposted by Pierpaolo Morgante (He/His)
Kyle Cranmer @kylecranmer.bsky.social · 31/07/2026
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...
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Volker Blum @aimsduke.bsky.social · 29/07/2026
I am sorry to see this. What a remarkable career. I was literally wondering about a problem related to Marcus theory yesterday.
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Chemistry World @chemistryworld.com · 29/07/2026
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...
chemistryworld.com
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
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Pierpaolo Morgante (He/His) @piermorgante.bsky.social · 27/07/2026
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...
rsc.wd103.myworkdayjobs.com
Content Development Editor
Circa: Salary - Salary Plan, 80,000.00 USD Annual Join our small and very friendly team at the Royal Society of Chemistry as a Content Development Editor and become a key ambassador for our world-lead...
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Green Chemistry @greenchemistry.rsc.org · 13/07/2026
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
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Pierpaolo Morgante (He/His) @piermorgante.bsky.social · 16/07/2026
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
The logo of the RSC Desktop Seminar featuring Biomaterials research presented by Emerging Investigators in the Americas
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Pierpaolo Morgante (He/His) @piermorgante.bsky.social · 09/07/2026
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?
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RSC Applied - Interfaces, Polymers @rscapplied.rsc.org · 08/07/2026
🖥️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
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Reposted by Pierpaolo Morgante (He/His)
Bettina Keller @bettinagkeller.bsky.social · 08/07/2026
📢 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
jobs.fu-berlin.de
Research assistant (praedoc) (f/m/d) DM-786
Research assistant (praedoc) (f/m/d) DM-786
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Laura McCaslin @lauramccaslin.bsky.social · 02/07/2026
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...
cg.sandia.gov
An error has occurred.
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Green Chemistry @greenchemistry.rsc.org · 23/06/2026
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
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Volker Blum @aimsduke.bsky.social · 23/06/2026
Hooray! doi.org/10.1088/2516...
doi.org
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
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Pierpaolo Morgante (He/His) @piermorgante.bsky.social · 17/06/2026
Happy #ImpactFactorDay to all those who celebrate #EditorsLife
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Pierpaolo Morgante (He/His) @piermorgante.bsky.social · 17/06/2026
So happy to have played a small part in celebrating these #compchem rising stars! Congratulations to the winners!! #ICQC2026
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Volker Blum @aimsduke.bsky.social · 16/06/2026
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...
events.ms1p.org
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...
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Volker Blum @aimsduke.bsky.social · 17/06/2026
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
arxiv.org
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...
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Pierpaolo Morgante (He/His) @piermorgante.bsky.social · 15/06/2026
#Compchem
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Mario Barbatti @mbarbatti.bsky.social · 12/06/2026
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...
doi.org
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...
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Pierpaolo Morgante (He/His) @piermorgante.bsky.social · 12/06/2026
📣 Calling all researchers in #nanoengineering, #biomaterials, and #medicine! We are looking for all your exciting new developments, please consider submitting! #EditorsLife
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The Matter Lab @thematterlab.bsky.social · 08/06/2026
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]
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Caroline Lynn Kamerlin ☀️ @lynnkamerlin.bsky.social · 05/06/2026
Marjane Satrapi passed away, from a broken heart. Travel safe 🕯️ Punk is not dead. 1969-2026
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Journal of Materials Chemistry A, B, C @jmaterchem.rsc.org · 04/06/2026
⏰ 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
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Derek Lowe @dereklowe.bsky.social · 02/06/2026
If not now, when? This is an emergency.
science.org
Action! Action Now.
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Frank Noe @franknoe.bsky.social · 03/06/2026
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/...
apply.careers.microsoft.com
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...
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Pierpaolo Morgante (He/His) @piermorgante.bsky.social · 02/06/2026
I won’t say what my favorite functional is, but I will say that I’ll be filling out the #DFTPoll right away 😊
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Pierpaolo Morgante (He/His) @piermorgante.bsky.social · 01/06/2026
Lynn is #hiring! #ChemJobs #Compchem #ChemSky @chemjobber.bsky.social #ChemPostdocs
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Chemical Science @chemicalscience.rsc.org · 01/06/2026
📢 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 #🧪
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Miranda-Quintana group @groupquintana.bsky.social · 05/05/2026
#postdoc position in our lab explore.jobs.ufl.edu/en-us/job/53...
explore.jobs.ufl.edu
University of Florida - Details - Chemistry Post-Doctoral Associate - Unsupervised and Generative Machine Learning
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Environmental Science @envsci.rsc.org · 05/05/2026
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
pubs.rsc.org
The Global Atmospheric Cycle of Forever Chemicals: A Review of PFAS Distribution, Wet Deposition, and Atmospheric Fate - Environmental Science: Atmospheres (RSC Publishing)
Per- and polyfluoroalkyl substances (PFAS) are persistent, emerging environmental contaminants with diverse chemical properties and widespread industrial and consumer uses. They are used as key components in products like surfactants, lubricants, fire-fighting foams, non-stick cookware, and water-repellent c Environmental Science: Atmospheres Recent Review Articles HOT articles from Environmental Science: Atmospheres Emerging Investigator Series
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Materials Horizons @materialshorizons.rsc.org · 17/04/2026
Full plenary speaker line-up announced!!👇 Meet our plenary speakers and submit an oral abstract for your chance to join them in London this November to explore and celebrate the theme of the 2026 Horizons symposium: (Nano)catalysis. www.rsc.org/events/find-...
Horizons symposium 2026: (Nano)catalysis. 12-13 November 2026. Oral abstract deadline 26 May 2026.
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Digital Discovery @digital-discovery.rsc.org · 23/04/2026
📢 From Mohamad Moosavi and his team University of Toronto, this #RSCDigital Advance Article features a machine learning framework incorporating know physics relationships to predict temperature-dependent chemical properties 🔗doi.org/10.1039/D5DD...
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Geoff Hutchison @geoffhutchison.net · 15/04/2026
When 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.
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Pierpaolo Morgante (He/His) @piermorgante.bsky.social · 13/04/2026
I haven't posted anything #compchem for a while, so everybody, please meet Eddie the extension cord eater. When working in the lab, I could never find an extension cord. It wasn't until a few weeks ago that I realized Eddie was the reason 😂 Should we start a #ChemistsWhoCrochet thread? 🧶🧪
Eddie the extension cord eater, an amigurumi pattern I crocheted. If you're wondering why you can't find the extension cords in your lab, he is likely the answer
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Olexandr Isayev 🇺🇦 🇺🇸 @olexandr.bsky.social · 09/04/2026
🚨 AIMNet2 MLIP models are now available on @huggingface 😊 Check it out: huggingface.co/isayevlab and updated documentation: isayevlab.github.io/aimnetcentral/… #compchem #compchemsky #chemsky
huggingface.co
isayevlab (Isayev Lab at CMU)
AI4Science and Science4AI
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Marcel Swart @marcelswart.bsky.social · 08/04/2026
The 2025 @rsc.org Dalton Horizon Prize arrived. A #team effort: Faiza Ahsan, Bittu Chandra, Abhishek Das, Yisong Guo, Mehmet Jahja, Sami Mahri, Nabhendu Pal, Larry Que, Yuan Sheng, MS, Jin Xiong, Vic Young Nonheme iron-oxo oxidants www.rsc.org/standards-an... www.marcelswart.eu/news/2025.06...
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Pierpaolo Morgante (He/His) @piermorgante.bsky.social · 26/03/2026
Always happy to see what the #compchem community has been up to 😍 #CompChemSky 🧪⚗️
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Pierpaolo Morgante (He/His) @piermorgante.bsky.social · 16/03/2026
@rsc.org
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Avogadro Project @avogadro.cc · 14/03/2026
Avogadro 2.0 drops April 1st — and no, that's not a joke! 🧪⚗️ Now's the perfect time to help improve translations before release. Every language matters for chemistry worldwide. #opensource #openscience hosted.weblate.org/engage/avoga...
hosted.weblate.org
Making sure you're not a bot!
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Pierpaolo Morgante (He/His) @piermorgante.bsky.social · 13/03/2026
Excited to be heading to the #GlobalPhysicsSummit #GPS2026 in Denver, CO to represent a wide array of @rsc.org journals, including @digital-discovery.rsc.org, @rscapplied.rsc.org, @chemcomm.rsc.org #EditorsLife DMs open if you'd like to discuss your work or learn more about our journals 😊
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