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Welcome Eduarda Sangiogo Gil and Feven Alemu Korsaye to the group! ❤️ It is a great honor and pleasure to have you both at ⁦Universität Wien⁩ ! Looking forward to many great scientific adventures together! #QuantumComputing , #SHARC #photochem

Prague, what a beautiful city! I had a great time at ⁦Faculty of Science of Charles University⁩ . Thanks to ⁦Lukas Grajciar⁩ for inviting me.

Jutta Rogal dives into the topic of free energies and how normalizing flows can be used to compute phase diagrams #virapid2024

Gerhard Hummer kicking off day 3 of #virapid2024 with a great lecture on discovering reaction mechanism with AI-guided trajectory sampling. ViRAPID

More machine learning in the talk of Peter Bolhuis, who explains beautifully how we can learn from trajectory ensembles. #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

Discussion among path samplers 🏃🏿powered by ⁦Johannes Dietschreit⁩ #virapid2024

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

Closing speech by @CHHDellago at the first Virapid workshop! Thank you to the entire ViRAPID team for making this possible!

Make sure to check out Maximilian Xaver Tiefenbacher‘s poster from Theo Chem at the #CCSC2024 on Excited state ML(QM)/MM. Glad to see this work on a poster 😍 #ML #DL #compchem

Welcome to the team ⁦Soojung Yang⁩ ⁦Microsoft Research⁩ #AI4Science

I am hiring a 2-year, full-time #postdoc fellow in theoretical chemistry for an FWF funded project about magnetic-dipole allowed spectroscopy (istomps.org) at Universität Wien, deadline October 1st. Apply here: jobs.univie.ac.at/job-invite/1946 RT & share! #AcademicTwitter

I enjoyed great poster sessions at the very well organized #STC2024 in Braunschweig with my colleagues from The González Group here is Sebastian Mai presenting his research

Johannes Dietschreit The González Group I also enjoyed the #STC2024 in Braunschweig very much, with many great talks and interesting poster session discussions, including Johannes Dietschreit 's poster with the latest works of ViRAPID and The González Group .

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

Looking forward to a second day of great talks at the Quantum Chemistry Workshop at #KIT.

👋 Greetings from the MECS Booster: Today, the scientific presentations of the young scientists started, providing the basis for extended discussion sessions.

A great duo talk today from Laurens van Dam and ⁦Johannes Dietschreit⁩ at the Booster ⁦COE_MECS⁩ about our work in collaboration with ⁦BonifaziLAB⁩. #photochem ☀️☀️☀️ ⁦Universität Wien⁩ ⁦FWF⁩

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/University…

It is very sad to learn that Martin Karplus passed away on Dec 28 at age 94. He was a scholar and pioneering chemical physicist with great contributions in many areas including molecular dynamics. We interacted many times starting from my graduate time at Harvard. His legacy is