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simplaix.bsky.social @simplaix.bsky.social · 26/05/2026

We thank Gábor Csányi for delivering an excellent talk on “MACE Force Field Models for the Periodic Table” at IWR last week. If you missed the talk, you can watch the recording here: www.youtube.com/watch?v=tFD8... © IWR / Heidelberg University

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simplaix.bsky.social @simplaix.bsky.social · 13/05/2026

Thanks to all the speakers and participants who made this year’s SIMPLAIX Workshop such a success. We’re already looking forward to #SIMPLAIX27 next year – see you there! 🙂 Photo © HITS

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simplaix.bsky.social @simplaix.bsky.social · 08/05/2026

Session 8 was chaired by Alice Allen, with Martin Stoehr and Henrik Christiansen as speakers. Rebecca Wade @rebecca-wade.bsky.social rounded up the discussion and the participants convened for a final lunch together. We thank everyone who attended #SIMPLAIX26 and hope to see you at the next one 🤗

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simplaix.bsky.social @simplaix.bsky.social · 08/05/2026

The #SIMPLAIX26 Workshop ended just as good as it started! Today, we heard talks by Ilyes Batatia, Pratyush Tiwary and Tobias Kaczun, chaired by Fred Hamprecht during session 7.

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simplaix.bsky.social @simplaix.bsky.social · 08/05/2026

✅ And a jam-packed day came to an end with the 6th session, chaired by Alice Allen. Yair Litman and Roman Remme held the final talks of the day, preceding some time to network over a poster session and finger food. Here's another sneak peek of this year's #SIMPLAIX26 👇

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simplaix.bsky.social @simplaix.bsky.social · 08/05/2026

The 5th session, chaired by Jan Stühmer, consisted of Alexander Tong talking about Controlling Generative Models, Ben Murrell discussing Discrete, Continuous, and Manifold Flow Matching and Riccardo Beccaria on Physics Informed Machine Learning Potential for Brownian Dynamics Simulations.

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simplaix.bsky.social @simplaix.bsky.social · 08/05/2026

⤵️ Session 4 was chaired by Frauke Gräter, with talks by Patrick Bryant on "De Novo Design of Functional Peptides and GPCR Agonists" and Chris John on "Excitation Energies of Chromophores in Polarizable Environments". The session concluded with a discussion on AI, chaired by Fred Hamprecht.

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simplaix.bsky.social @simplaix.bsky.social · 08/05/2026

The 2nd day of #SIMPLAIX26 was another memorable one! The 3rd session was chaired by Pascal Friederich. Fernanda Duarte, Luca Ghiringhelli and Niccolo Di Eugenio delivered the talks for this session, varying from condensed-phase reactivity to parsimonious models and radiation damage analysis.

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simplaix.bsky.social @simplaix.bsky.social · 07/05/2026

Session 2 was chaired by Rebecca Wade and included talks by Bingqing Cheng, Qiang Cui and Cesar Mendoza Martinez. The day concluded with a speakers picture in the HITS garden. View the rest of the SIMPLAIX 2026 program and the talk titles here: simplaix-workshop2026.h-its.org

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simplaix.bsky.social @simplaix.bsky.social · 07/05/2026

The 4th SIMPLAIX Workshop is underway and what a successful kickoff! Session 1 included: - A welcome speech by Rebecca Wade - Talks by Alex Tkatchenko, Torben Berndt and Van-Quan Vuong, chaired by Tristan Bereau Here are some first impressions.

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simplaix.bsky.social @simplaix.bsky.social · 04/03/2026

Registration is now open for the 4th SIMPLAIX Workshop! 📅 6–8 May 2026 📍 Studio Villa Bosch, Heidelberg Three days of cutting-edge discussions at the intersection of machine learning and multiscale molecular modeling. 🔗 Register now: simplaix-workshop2026.h-its.org #SIMPLAIX26

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simplaix.bsky.social @simplaix.bsky.social · 29/10/2025

📣Meet our new Project Assistant Darija Stein.👋 With Britta Schläger stepping down as Project Manager, Darija will take over key responsibilities as the new Project Assistant. Thanks Britta and a warm welcome to Darija. We’re looking forward to achieving new milestones together! Photo © HITS

Person standing in front of a brick wall.

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simplaix.bsky.social @simplaix.bsky.social · 09/05/2025

That’s a wrap on the SIMPLAIX workshop! 🎬 What an inspiring few days full of great ideas, meaningful conversations, and new connections. A big thank you to everyone who joined us and made this event a success. Safe travels home, and we hope to see you again soon! ✈️👋 #SIMPLAIX2025

Group of smiling people lined up on stairs.

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simplaix.bsky.social @simplaix.bsky.social · 08/05/2025

We’re in full swing on Day 2 of #SIMPLAIX2025! After an exciting kickoff yesterday, we’re diving deeper today with engaging talks and cross-disciplinary discussions. Today is all about collaboration and thought-provoking research. Let’s keep the momentum going! 💡

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simplaix.bsky.social @simplaix.bsky.social · 07/05/2025

The 3-day SIMPLAIX Workshop 2025 is now officially OPEN! 🎉 We’re kicking off an inspiring event filled with keynotes, discussions and networking opportunities on multiscale computer simulation and #machinelearning over the next few days. #SIMPLAIX2025 #AI #lifesciences #materialsscience

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simplaix.bsky.social @simplaix.bsky.social · 07/04/2025

Registration Deadline Extended! The SIMPLAIX Workshop 2025 is just around the corner, and there's still time to join us! 📅 New deadline: 13 April 2025 📍 Studio Villa Bosch, Heidelberg 🔗 Register now: simplaix-workshop2025.h-its.org Spots are filling fast — secure yours today! #SIMPLAIX25

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simplaix.bsky.social @simplaix.bsky.social · 17/03/2025

Registration for the SIMPLAIX 2025 event is still open! Join us for great discussions, insights, and networking! 📅 Date: 7-9 May 2025 📍 Location: Studio Villa Bosch, Heidelberg 🔗 Register Now: simplaix-workshop2025.h-its.org/registration/ Secure your spot today! #SIMPLAIX25

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simplaix.bsky.social @simplaix.bsky.social · 11/02/2025

Many thanks to our colloquium speaker Cecilia Clementi @cecclementi.bsky.social from FU Berlin, for providing a deeper understanding of how machine learning and molecular simulations are leveraged to model protein dynamics. Keep an eye out for the video release on the HITS YouTube channel!

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simplaix.bsky.social @simplaix.bsky.social · 04/02/2025

Registration for the 3rd SIMPLAIX Workshop on Machine Learning for Multiscale Molecular Modeling (7–9 May 2025) is now open! Learn more about the conference here simplaix-workshop2025.h-its.org and register here simplaix-workshop2025.h-its.org/registration/ We look forward to seeing you there! 😊

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simplaix.bsky.social @simplaix.bsky.social · 28/01/2025

Special thanks to our colloquium speaker @smnlssn.bsky.social from Chalmers University of Technology, Sweden, for his excellent presentation on Generative AI and the Physics of Molecules. Stay tuned for the video release on the HITS YouTube channel! @hitsters.bsky.social @rebecca-wade.bsky.social

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simplaix.bsky.social @simplaix.bsky.social · 16/12/2024

Thanks to our colloquium speaker Markus Meuwly (University of Basel, Switzerland @unibas.ch) for his splendid talk on computational protein dynamics. The talk will soon be available on the HITS YouTube channel – stay tuned! @hitsters.bsky.social @graeterlab.bsky.social #computationalproteindynamics

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