Pierpaolo Morgante (He/His)

I don’t think I could have asked for a better position #Compchem Thank you for having me, #CompchemSky ☺️

Job advertisement of the University of Bayreuth  - Chair of Physical Chemistry V: Theory and Machine Learning Fixed-Term Research Associate (m/f/d, E13 TV-L, 67%) in the field of Machine Learning for Materials Chemistry

📢 We're hiring a PhD student in ML for Materials Chemistry at Uni Bayreuth! Apply if you're into atomistic simulations and the intersections between physics, chemistry and ML.

We offer a great environment in one of the nicest towns in Germany. Apply here: bit.ly/4aPBgE9.

#compchem #chemsky

Avogadro Stories (for 2.0 Release) As we finish up the 2.0 (final!) release, I’d like to feature some stories (and citations) about how Avogadro has shaped research and teaching. So if Avogadro has helped your research, please let me ...

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...

RSC Desktop Seminar on biodegradable polymers, taking place on Tuesday 10 March 2026 at 11 AM EST / 4 PM GMT.

Join us for our next Desktop Seminar on Biodegradable polymers, featuring Prof. Patrizio Raffa of @rug.nl! The webinar is on 10 March 2026 at 4pm GMT. Register for free here: rsc.zoom.us/webinar/regi...

#CompChemSky is growing! Welcome, @jtmargraf.bsky.social (or rather a welcome back!), nice to see you here!

a dog is dancing in a room with the words happy dance above it ALT: a dog is dancing in a room with the words happy dance above it

Actual footage below? ☺️

the queen is wearing a white hat and pearls and is smiling . ALT: the queen is wearing a white hat and pearls and is smiling .

(I know it's a bit outdated, but I think she's more iconic than King Charles 😂) Congratulations!!! 🥳

Check out our subject-specific collections of our most popular Chemical Science content published in 2025! These collections highlight some of the exceptional research published in Chemical Science and they are free to read.

Read our blog post: blogs.rsc.org/sc/

#ChemSky #ChemSciMostPopular

Happy to see the fruits of Leon Schlosser’s research stay at the Digital Chemistry Laboratory published in @jacs.acspublications.org! 🎉

Attending #SLAS2026 in Boston? Let’s catch up! I will be talking on Tuesday about our Programmable Chemical and Biological Innovation Cloud Lab
ai-science-foundry.cmu.edu
How we use robotics, automation and agentic AI to drive chemical experiment. #ChemSky #BioSky #CompChemSky

Not one but 2 (!) open #postdocjobs to work with me

1️⃣ tinyurl.com/EPSRCMattaPDRA

2-year postdoc on data-driven design and screening of organic mixed conducting materials ⚡️🔋
#omiecs

Deadline: Feb 8

Ideal profile: MD or DFT skills, experience in #high-throughput workflows, strong coding skills

Woohoo!!! Go, Kyle!! 🥳

Rendering of highest occupied molecular orbital (HOMO) of a conjugated molecule showing conventional orbital isosurfaces in red and blue bubbles.

Rendering of highest occupied molecular orbital (HOMO) of a conjugated molecule showing volumetric electron density in shades of red and blue clouds

Obviously a lot is going on (gestures widely)

Amid chaos, I cope by doing *something* -- anything. Lately, it's been coding for @avogadro.cc because it feels like some small change I can do myself

For *years* I've wanted to show electron density volumes .. little clouds ☁️☁️

#compchem

⚗️Always exciting to see a computational paper #compchem in @chemicalscience.rsc.org 🧪 @gabrielmerino.bsky.social

Now out in @chemicalscience.rsc.org ! First paper by Léna Triestram in our group, “Identifying phase transitions in Zeolitic Imidazolate Frameworks” by advanced #compchem methods. #chemsky doi.org/10.1039/D5SC...

Do you know any researchers that have made significant contributions to digital #chemistry, #AI, #machinelearning and #automation and has published in Chemical Science within the last five years?

Find out how to nominate the for the 2026 Chemical Science Lectureship here: rsc.li/chemsci-lect...

Calling all #MOFs enthusiasts out there! Join @jimwhite-rsc.bsky.social and Profs. @mirceadinca.bsky.social and @profamo.bsky.social next Thursday, 9am EST (2pm GMT) 🧪⚗️ (Why isn't there an emoji for MOFs yet?)

And the most recent #JournalClub on interpreting the #PXRD patterns of covalent organic #frameworks #COF by @mollart.bsky.social based on Lotsch group’s paper www.grynova-ccc.org/journal-club...

#JournalClub on #SKALA density functional from @jeanquertinmont.bsky.social www.grynova-ccc.org/journal-club...

Some @digital-discovery.rsc.org published research in my favorite activity from @grynova.bsky.social 's group! #JournalClub is back 🥳

A multi-task learning approach for prediction of missing bioactivity values of compounds for the SLC transporter superfamily Solute carrier (SLC) transporters constitute the largest family of membrane transport proteins in humans. They facilitate the movement of ions, neurotransmitters, nutrients, and drugs. Given their critical role in regulating cellular physiology, they are important therapeutic targets for neurological and psychologi

📢 Today's #DigitalDiscovery read presents a multitask deep neural network model to predict the bioactivity of solute carrier transport target compounds!

🦠 Read more about how their approach is giving way an enlarged information pool of drug candidates here:

Publishers are already seeing unprecedented quantities of AI slop and unethical AI use by authors and reviewers, and it's terrifying that tools like this will open the floodgates further. Gen AI is a plague and I wish it a swift death.

Now in Digital Discovery: Context-aware computer vision for chemical reaction state detection.

🔗 pubs.rsc.org/en/content/a...
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a cartoon of hercules standing next to a man and a horse ALT: a cartoon of hercules standing next to a man and a horse

The whole thing reminds me of this scene from Hercules, but without the face-to-face interaction 😂

Thanks for sharing this, it genuinely made me laugh 😂 (sorry that you receive these emails. Not sure if it will make you feel better, but I get them too even though I haven't been an active researcher since 2023 😅)

Thanks, @valencekjell.com (nice to hear from you!) Great to hear you like the journals, yay! Not sure which ones I'll be working on yet, but I hope to give an update on it soon! :D

Thank you! 🥳
(it was nice catching up on San Diego last month! Looking forward to what’s next!)

Thank you, @cortogantese.bsky.social! We should catch up soon! I hope you're staying warm :D

And I–of course–managed to miss tagging #ChemSky 🤦‍♂️ I am out-of-shape, am I not? 🧪⚗️