Today we are starting our community voices project bringing together the community and cross-sector organisations to prioritise research and community needs in the areas we serve #SHARC
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#SHARC
Latest posts tagged with #SHARC on Bluesky
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Posts tagged #SHARC
#LVC/MM to study an Fe complex excited state dynamics ☀️ in explicit solvent with #SHARC 🦈. A wonderful work from Severin Polonius and @sebastian-mai.bsky.social .
Published in #ChemicalScience @rsc.org
@univie.ac.at
pubs.rsc.org/en/content/a...
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🔗 Learn more / docs: sharc-md.org
📄 Full changelog: sharc-md.org?page_id=1454...
📥 Download: github.com/sharc-md/sha...
#SHARC #CompChem #MolecularDynamics #MachineLearning #QM_MM #OpenSourceScience
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🔥🔥🔥
#SHARC version 4.0 is here! 🦈
Redesigned modular interfaces, new hybrid methods and workflows.
Supports fast and large dynamics simulations, including #QM/MM and #ML/MM
sharc-md.org
Research at @univie.ac.at
#CompChem #OpenSourceScience
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Rare dissociation of ammonia, ☀️using #SHARC 🦈 and #MLIPs .
A paper by Brigitta Bachmair for
#virapid, just published at @pccp.rsc.org
pubs.rsc.org/en/Content/A...
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How to #SHARC 🦈 and LVC correctly with degenerate states?
Check first paper of Dilara Farkhutdinova, with @sebastian-mai.bsky.social for #SPP2102 at @univie.ac.at
@dfg.de
pubs.acs.org/doi/10.1021/...
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Interested in rewards and incentives in #openscience? Check our latest article published in @plosone.org about gaps in the current recognition systems #SHARC @researchdataall.bsky.social doi.org/10.1371/jour... 🧪
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Last paper of the year, I guess. ⤵️
#SHARC 💙 #MOPAC-Pisa
to accelerate dynamics 🚀
Here #Photoisomerization in ☀️🦈#AzobenzeneDerivative, just published in #JPhysChemB @acspublications.bsky.social
#FirstPaper of Georg Gallmetzer!
#EditorsChoice ! 👏👏
pubs.acs.org/doi/10.1021/...
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Cool to be #PickoftheWeek in @chemsci.bsky.social with the amazing paper of Eduarda Sangiogo-Gil and our #SHARC 🦈, this time with #TEQUILA, hand in hand.
2024 Chemical Science HOT Article Collection 🔥🔥🔥
pubs.rsc.org/en/content/a...
#QuantumComputing
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Welcome @costaszois.bsky.social 🇬🇷 to start his #PhD at @univie.ac.at to support #CataLight.
Looking forward to lots of exciting photocalytic 🌱
adventures with #metalComplexes, ☀️, and #SHARC 🦈
@fwf-at.bsky.social
@dfgpublic.bsky.social
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Discover the first paper of Eduarda Sangiogo-Gil at @univie.ac.at on #quantumComputing ⚛️ and #SHARC 🦈 , just accepted in #ChemicalScience ! 🥳🥳
With @markusoppel.bsky.social and @kottmann.bsky.social
“SHARC meets TEQUILA”
pubs.rsc.org/en/content/a...
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Stage of the conference, showing in the bottom corner two sited people facing each other (moderator and presenter), and the slide for the presenter in the top corner. The logo of the conference, picturing a sloth, is shown projected on the wall in the back
Seven people are sited on the conference stage for the Q&A session. The third one is holding the mic while the others look at them.
A sloth with its eyes closed, sleeping peacefully
A toucan eating small round fruits from a tree that has an orange-colour bark and green leaves
On the last #RDAPlenary, I presented our #SHARC "Recommendations on Open Science Rewards and Incentives", which target many stakeholders, such as researchers. You can see them here: bienflorencia.github.io/rda-sharc-re... 🧪
I'll also leave some cute pics from fauna in Costa Rica for appreciation 🦥💚
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Yeah! 💪
MUSICA newest Austrian #supercomputer entered the #Top500!
Ready to #SHARC 🦈
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