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ViRAPID

@virapid

Vienna Research Platform for Accelerating Photoreaction Discovery —- A joint adventure of L. González, C. Dellago and U. Stefanelli at U Vienna

 Vienna, Austria
virapid.univie.ac.at
Joined January 2020
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  • Followers169
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Want to join @virapid as a PhD student ? ⬇️⬇️⬇️⬇️⬇️ Please RT #academicjobs jobs.univie.ac.at/job/Univer…

University assistant Prae Doc

University assistant Prae Doc

jobs.univie.ac.at
The González Group (@theo_chem) profile pictureThe González Group@theo_chem12 Nov 2024
Want to join us in Vienna? 📣📣 Together with @CHHDellago and @ApplMathVienna are looking for a PhD student to develop new methods bridging #excitedstatedynamics ☀️ and #rareevents 💎 and #machinelearning 🤖 in @virapid jobs.univie.ac.at/job/Univer…

University assistant Prae Doc

University assistant Prae Doc

jobs.univie.ac.at
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Exciting day at the #CESTC2024 (by @institutrb) presenting our work on path sampling approaches for photoreactions☀️👩‍🏫 & looking forward to the coming days full of inspitation & discussions here in Croatia.@virapid @univienna @theo_chem @CHHDellago @JDietschreit @sebastian_mai14
Image from Brigitta (@Brigitta_B_)
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You learnt non-polar σ-bonds break always symmetrically? Light it up and you can get heterolytic fission! 💡 Published in @nature 🥳 ⬇️⬇️ nature.com/articles/s41586-0… A cooperation with @BrederLab powered by @elias_harrer @uni_regensburg and @DavidHdez92 at @univienna @stem_univie
Unimolecular net heterolysis of symmetric and homopolar σ-bonds

Unimolecular net heterolysis of symmetric and homopolar σ-bonds

Nature - Net heterolysis of symmetric and homopolar σ-bonds by stimulated doublet–doublet electron transfer is reported in a series of atypical SN1 reactions, in which selenides show...

nature.com
David Hernández Castillo (@DavidHdez92) profile pictureDavid Hernández Castillo@DavidHdez9214 Aug 2024
Our latest work @theo_chem is finally online @Nature 🤩 What an honor and pleasure to have been part of this collaboration between @univienna and @uni_regensburg. With an amazing computational work from @elias_harrer 💪 🌟. nature.com/articles/s41586-0…
Unimolecular net heterolysis of symmetric and homopolar σ-bonds

Unimolecular net heterolysis of symmetric and homopolar σ-bonds

Nature - Net heterolysis of symmetric and homopolar σ-bonds by stimulated doublet–doublet electron transfer is reported in a series of atypical SN1 reactions, in which selenides show...

nature.com
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Nous sommes très heureux de recevoir Leticia Gonzalez @theo_chem comme professeure invitée @ENS_ULM. Ce matin, nous suivons un séminaire passionnant d’introduction à la photochimie théorique.
Image from Chimie ENS (@Chimie__ENS)
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Want to build the future molecules that might help solving the #EnergyCrisis ? Come to #LNDW2024 at @univienna Our projects @cata_light and @COE_MECS join forces for a #BetterFuture using ☀️and #SuperComputers. Thanks to Meritxell, Laurens and Tomislav 💚 @FWF_at @dfg_public
Image from The González Group (@theo_chem)
Image from The González Group (@theo_chem)
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New #publication: 'Drug design on quantum computers' in @NaturePhysics. The González Group, @theo_chem of @univienna & international partners explore quantum computing's potential in drug development, breaking barriers in molecular simulation. nature.com/articles/s41567-0…
Drug design on quantum computers

Drug design on quantum computers

Nature Physics - Quantum computers promise to efficiently predict the structure and behaviour of molecules. This Perspective explores how this could overcome existing challenges in computational...

nature.com
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Mit #Quantencomputern in Zukunft schneller #Arzneistoffe entdecken? 💻 Ein Team der Universität Wien hat gemeinsam mit Forschern von @Google, @BASF_DE, @Boehringer, @QCWare & der @UofT die Möglichkeiten dieser Technologie untersucht. 🔍⤵ medienportal.univie.ac.at/me…
The González Group (@theo_chem) profile pictureThe González Group@theo_chem11 Mar 2024
Können Quantencomputer bei der Entwicklung neuer Medikamente helfen? medienportal.univie.ac.at/me… @stem_univie #QuantumComputer #CompChem #QuantumChem
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It was a great adventure with @CHHDellago and @ApplMathVienna to organize this @virapid workshop at @univienna. 😅 Thanks to all our great speakers and great audience for the many questions and nice discussions. #photochem #MachineLearning #Sampling #RareEvents – at Vienna, Austria
Luigi Bonati (@LuigiBonati) profile pictureLuigi Bonati@LuigiBonati29 Feb 2024
Closing speech by @CHHDellago at the first Virapid workshop! Thank you to the entire @virapid team for making this possible!
Image from Luigi Bonati (@LuigiBonati)
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Our final talk at #virapid2024 is held by @EliPieri90 with her talk about nonadiabatic nanoreactors
Image from ViRAPID (@virapid)
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The last discussion session at #virapid2024! Are there any questions left ?
Image from ViRAPID (@virapid)
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In the talk from @RGBLabMIT we will learn how to "differentiate everything everywhere all at once" and how we can use that to obtain the best neural networks possible #virapid2024
Image from ViRAPID (@virapid)
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Caroline Lasser is up next at #virapid2024 with her nummerical analysis for excited state dynamics
Image from ViRAPID (@virapid)
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Discussion among path samplers 🏃🏿powered by ⁦@dietschreit⁩ #virapid2024
Image from ViRAPID (@virapid)
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Yes, ML models are expensive but pay off! 🧞
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In her talk, Elena Betti shows us how she took on the incredible challenge to model the light harvesting complex II with the help of ML #virapid2024
Image from ViRAPID (@virapid)
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The intricacies of reaction coordinates and more are presented by @BettinaGKeller on the example of the retinal thermal isomerization #virapid2024
Image from ViRAPID (@virapid)
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Roberto Covino @CovinoLab explains how to make path sampling simulations more data-efficient.
Image from ViRAPID (@virapid)
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Social dinner at a traditional tavern in Vienna, opened by Ulisse Stefanelli ⁦@ApplMathVienna⁩, 🎤 Delving into the Austrian gastronomy! 🍷🥓🥗🍖🍗🍰 #virapid2024
Image from ViRAPID (@virapid)
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I was happy to engage in many discussions on my work on the NAFFS approach for bringing together excited state dynamics and photoreactions ☀️👩‍💻 @virapid #virapid2024
Image from Brigitta (@Brigitta_B_)
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Last round of discussions for today around nonadiabatic dynamics! #virapid2024
Image from ViRAPID (@virapid)
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