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Last round of discussions for today around nonadiabatic dynamics! #virapid2024

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

Social dinner at a traditional tavern in Vienna, opened by Ulisse Stefanelli ⁦@ApplMathVienna⁩, 🎤 Delving into the Austrian gastronomy! 🍷🥓🥗🍖🍗🍰 #virapid2024

Roberto Covino Roberto Covino explains how to make path sampling simulations more data-efficient.

The intricacies of reaction coordinates and more are presented by Bettina Keller on the example of the retinal thermal isomerization #virapid2024

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

Caroline Lasser is up next at #virapid2024 with her nummerical analysis for excited state dynamics

In the talk from RGB Lab @ MIT 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

The last discussion session at #virapid2024! Are there any questions left ?

Our final talk at #virapid2024 is held by Elisa Pieri with her talk about nonadiabatic nanoreactors

It was a great adventure with @CHHDellago and @ApplMathVienna to organize this ViRAPID workshop at Universität Wien. 😅 Thanks to all our great speakers and great audience for the many questions and nice discussions. #photochem #MachineLearning #Sampling #RareEvents

Mit #Quantencomputern in Zukunft schneller #Arzneistoffe entdecken? 💻 Ein Team der Universität Wien hat gemeinsam mit Forschern von Google, @BASF_DE, Boehringer Ingelheim, QC Ware & der University of Toronto die Möglichkeiten dieser Technologie untersucht. 🔍⤵ medienportal.univie.ac.at/media/aktuelle…

New #publication: 'Drug design on quantum computers' in Nature Physics. The González Group, The González Group of Universität Wien & international partners explore quantum computing's potential in drug development, breaking barriers in molecular simulation. nature.com/articles/s4156…

Want to build the future molecules that might help solving the #EnergyCrisis ? Come to #LNDW2024 at Universität Wien Our projects CataLight and COE_MECS join forces for a #BetterFuture using ☀️and #SuperComputers. Thanks to Meritxell, Laurens and Tomislav 💚 FWF DFG public | @[email protected]

Nous sommes très heureux de recevoir Leticia Gonzalez The González Group comme professeure invitée École normale supérieure | PSL. Ce matin, nous suivons un séminaire passionnant d’introduction à la photochimie théorique.

You learnt non-polar σ-bonds break always symmetrically? Light it up and you can get heterolytic fission! 💡 Published in @nature 🥳 ⬇️⬇️ nature.com/articles/s4158… A cooperation with Breder Group powered by Elias Harrer Universität Regensburg and David Hernández Castillo at Universität Wien University of Vienna STEM

Exciting day at the #CESTC2024 (by Ruđer Bošković Institute) presenting our work on path sampling approaches for photoreactions☀️👩‍🏫 & looking forward to the coming days full of inspitation & discussions here in Croatia.ViRAPID Universität Wien The González Group @CHHDellago Johannes Dietschreit Sebastian Mai