R E M I N D E R 👇 Today: Joint Colloquium with Gábor Csányi at 4.15PM - Mathematikon Heidelberg

Coming up: IWR, EllIS, SIMPLAIX Joint Colloquium Gábor Csányi on "MACE Force Field Models for the Periodic Table" When: 21 May, 4.15-5.15 PM Where: Mathematikon Heidelberg Conference Room 5/104, 5th Floor For more information, click the link below: www.h-its.org/de/event/joi...

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

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.

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.

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.

Last chance to register! 📣 Registration for the 4th SIMPLAIX Workshop closes tomorrow, 10 April 2026. Secure your spot now and join leading researchers at the intersection of #ML and multiscale molecular modeling. 🔗 Register now: simplaix-workshop2026.h-its.org/registration/ #SIMPLAIX26

Together with colleagues from @uniheidelberg.bsky.social and #KITKarlsruhe, @hitsters.bsky.social researchers are addressing challenges in the simulation of #biomolecules and #MolecularMaterials by pooling their expertise in multiscale #ComputerSimulation and #MachineLearning.

SIMPLAIX enters its next phase. ➡️ With expanded collaborations and a continued focus on AI-driven simulation, Phase 2 strengthens efforts to better understand complex molecular systems. Find out more: www.h-its.org/2026/04/07/s...

The first HITS newsletter of 2026 is out now! 🎉 📰 Featuring insights into our contributions to the #DYNAVERSE and #SynthImmune Clusters of Excellence, new research on earthquake forecasting, as well as an interview with HITS group leader Kai Polsterer @astroinformatix.bsky.social.

Universität Heidelberg verteidigt Status als Exzellenzuniversität – Rektorin Frauke Melchior: „Großartige Gemeinschaftsleistung hat zum Erfolg geführt“ www.uni-heidelberg.de/de/newsroom/... #universität #heidelberg #uniheidelberg #Exzellenzstrategie #ExStra

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

It is with deep sadness that we learned of the passing of Peer Bork, Interim Director General of EMBL @embl.org and a valued scientific collaborator. Our thoughts are with his family, friends, and all who had the privilege of working with him. In remembrance of P. Bork: www.embl.org/news/embl-an...

HITS and the Max Planck Institute for Polymer Research’s #BBFlow predicts protein dynamics from backbone geometry alone, generating realistic ensembles up to 40× faster than previous models. Read more about it here: www.h-its.org/2026/01/15/p...

The BDBDB6 workshop kicks off soon! 🎉 Participants from California, Germany, the UK, France, Finland, Shanghai, Malaysia, Brazil, Poland, Ireland & more are joining us online – proof that time zones can’t stop great science. 🌍💡 Our hosts can’t wait to see you there! 👋💻 🔗 bdbdb6.h-its.org

Ever wondered what microscopic passengers you send out when you talk or sing? 🗣️💨 Rommie Amaro showed how viruses and more hitch a ride and how data-centric simulations give us atomic-scale views of these tiny travelers. Ready to zoom in? Watch now on YouTube: www.youtube.com/watch?v=96KH...

We were honored to host Rommie Amaro at the HITS‑SIMPLAIX Colloquium! She shared simulations of viral glycoproteins and talked about how environmental factors like ambient CO₂ can influence aerosol infectivity and viral resilience. Recording coming soon on our YouTube channel. Photos © HITS

Don’t miss the final HITS–Simplaix Colloquium of 2025! Rommie Amaro (UC San Diego) on multiscale computational microscopy for in situ molecular dynamics. 🗓 2 Dec | ⏰ 11.00 CET | Onsite & Online Info & Registration: ow.ly/oU6c50XyxoJ #HITSColloquium #ComputationalScience #MolecularDynamics

We are pleased to announce that registration is now open for the 6th Biological Diffusion and Brownian Dynamics Brainstorm #BDBDB6 on 11–12 December 2025 (online). Join us for discussions on the latest experimental and theoretical advances in biological diffusion. Register here: bdbdb6.h-its.org

📣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

HITS Journalist in Residence 2️⃣0️⃣2️⃣6️⃣ Call for experienced science journalists: Explore new research areas and learn about #ML and data-driven science in Germany. The program offers a stay of 3-6 months (€ 6,000/mo.). Apply until 5 October 2025: ow.ly/8lew50Wt6yS #HITSJIR2025 Photo © Christin Hume

Many thanks to our HITS-SIMPLAIX Colloquium speaker @bonomimax.bsky.social from @pasteur.fr ‪for sharing valuable insights into the world of protein structures and dynamics. His talk showcased simulations and approaches for determining accurate protein structural ensembles of biological systems.

We're thrilled to host our next HITS-SIMPLAIX Colloquium speaker Massimiliano Bonomi @bonomimax.bsky.social from @upcite.bsky.social. Don’t miss a deep dive into the future of structural biology on 21 July at 2PM CET.‬ Attend online or catch it later on our YouTube channel: ow.ly/Cpv850Wok9u%...

Delighted to share some highlights from SIMPLAIX 2025 @simplaix.bsky.social in Heidelberg, Germany @hitsters.bsky.social . I presented a talk on my current postdoctoral work, focusing on the coarse-grained study of the nucleosome. #SIMPLAIX2025

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

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! 💡

Patrizia's talk at the 2025 SIMPLAIX @simplaix.bsky.social workshop explaining ML/MM methods for solvent-dependent excited-state dymamics #machinelearning #ML #compchem

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

Congrats to SIMPLAIX PI Pascal Friederich from @kit.edu on winning the Manfred Fuchs Prize 2025 awarded by the Heidelberg Academy of Sciences and Humanities @hadw-bw.bsky.social for his AI-driven research in materials science. Well done! 👏 Read more here: www.h-its.org/2025/04/14/f...

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

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

Welcome to the Bluesky account for Stand Up for Science 2025! Keep an eye on this space for updates, event information, and ways to get involved. We can't wait to see everyone #standupforscience2025 on March 7th, both in DC and locations nationwide! #scienceforall #sciencenotsilence

Curious about how Machine Learning and Molecular Simulations are used to model Protein Dynamics? Then watch our HITS-SIMPLAIX Joint Colloquium with Cecilia Clementi @cecclementi.bsky.social which is now available on our YouTube channel. www.youtube.com/watch?v=2HAI...

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!

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! 😊

Don't miss our next HITS-SIMPLAIX Joint Colloquium on 10 February at 2:00 PM CET! Cecilia Clementi @cecclementi.bsky.social will talk about Modeling Protein Dynamics with Machine Learning and Molecular Simulation. Sign up ow.ly/h0Wl50UQ2kX to join via Zoom or just come by. @simplaix.bsky.social

How can Generative AI help improve molecular dynamics simulations, potentially supporting drug discovery and materials design in the near future? Simon Olsson @smnlssn.bsky.social has some answers: www.youtube.com/watch?v=souA... @simplaix.bsky.social @rebecca-wade.bsky.social

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

You're invited to the HITS-SIMPLAIX Joint Colloquium titled "How can Generative AI help understand the Physics of Molecules?" on 27 January at 2:00 PM CET, featuring Simon Olsson @smnlssn.bsky.social. Participate on-site by emailing [email protected] or register via ow.ly/qBGP50UIfxt for Zoom access.

As of January 2025, Kai Polsterer is the new Scientific Director of HITS, taking over from Tilmann Gneiting who had been Scientific Director for the last 2 years. The new deputy Scientific Director will be Rebecca Wade (@rebecca-wade.bsky.social). Read more here: ow.ly/HMlS50UBKUg Photos ©HITS

After 15 years, we say goodbye to group leader Frauke Gräter (@graeterlab.bsky.social) who will assume her new role as director of the Max-Planck-Institute for Polymer Research in Mainz as of January 2025. Read more about her time at HITS here: www.h-its.org/2024/12/19/f...

Listen to the HITS-SIMPLAIX joint colloquium with Markus Meuwly from @unibas.ch on Machine Learning and Protein Research which is now available on our YouTube channel. www.youtube.com/watch?v=BM5n... #machinelearning #proteinresearch #SIMPLAIX

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