iiinova — where your digital self keeps evolving

Reposted by @simplaix.bsky.social

HITS - Heidelberg Institute for Theoretical Studies @hitsters.bsky.social · 22/09/2026

Missed yesterday's colloquium talk by Yuji Sugita? 🤔 We've got you covered. A recording of the talk "How Can Protein Droplets Be Dissolved?" is now available on our YouTube channel. ▶️ Watch here: youtu.be/NqG_PF0gO9A Photo © HITS

031

Reposted by @simplaix.bsky.social

HITS - Heidelberg Institute for Theoretical Studies @hitsters.bsky.social · 21/09/2026

Today, HITS welcomed Yuji Sugita from the Theoretical Molecular Science Laboratory, RIKEN Pioneering Research Institute for a joint SIMPLAIX colloquium, where he talked about how protein droplets can be dissolved. Interested in Yuji's talk? Stay tuned for a Youtube video coming soon! Photos © HITS

021

Reposted by @simplaix.bsky.social

HITS - Heidelberg Institute for Theoretical Studies @hitsters.bsky.social · 14/09/2026

We are delighted to welcome Yuji Sugita for a talk on: “How Can Protein Droplets Be Dissolved?” at our next HITS-SIMPLAIX Joint Colloquium. 📅 Monday, 21 September 2026 🕑 2:00 PM CET 📍 Studio Villa Bosch, Heidelberg Joining online? Please register in advance: kta-email.zoom.us/meeting/regi...

111

Reposted by @simplaix.bsky.social

HITS - Heidelberg Institute for Theoretical Studies @hitsters.bsky.social · 10/08/2026

Do you have an ambitious research idea that you would like to pursue independently? The HITS #IndependentPostdocProgram is looking for an outstanding early-career researcher with a passion for interdisciplinary research. Location: Heidelberg, Germany Application deadline: 1 November 2026

112

simplaix.bsky.social @simplaix.bsky.social · 03/07/2026

Congratulations 🎉 to SIMPLAIX PI Fred Hamprecht on receiving an ERC Advanced Grant for his project “Learning Orbital-Free Density Functional Theory”. 👏 www.h-its.org/2026/06/25/s...

h-its.org

ERC Advanced Grant for SIMPLAIX-PI Fred Hamprecht - HITS

SIMPLAIX-PI Fred Hamprecht from the Interdisciplinary Center for Scientific Computing of Heidelberg University (IWR) has received an ERC Advanced Grant for ...

021

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

051

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

Now on YouTube: Gábor Csányi on "MACE Force Field Models for the Periodic Table" This talk was an IWR, Ellis (@ellisheidelberg.bsky.social), #SIMPLAIX Joint-Colloquium. You can listen to the talk here: www.youtube.com/watch?v=tFD8...

youtube.com

IWR, EllIS, SIMPLAIX Joint-Colloquium: Gábor Csányi on MACE Force Field Models for Periodic Table

YouTube video by TheHITSters

032

simplaix.bsky.social @simplaix.bsky.social · 21/05/2026

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

000

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

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...

h-its.org

IWR, EllIS, SIMPLAIX - Joint Colloquium - Gábor Csányi: MACE Force Field Models for the Periodic Table - HITS gGmbH

by Gábor Csányi Director Max Planck Institute for Polymer Research (MPI-P) I will report on our latest ...

041

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

062

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.

130

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.

130

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.

120

simplaix.bsky.social @simplaix.bsky.social · 09/04/2026

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

031

Reposted by @simplaix.bsky.social

Karlsruhe Institute of Technology (KIT) @kit.edu · 07/04/2026

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.

052

simplaix.bsky.social @simplaix.bsky.social · 07/04/2026

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...

h-its.org

The molecular research “booster” evolves: SIMPLAIX collaboration starts the next phase - HITS

Computer simulations and Artificial Intelligence are the main pillars of the “SIMPLAIX” collaboration, initiated by the Heidelberg Institute for Theoretical Studies (...

162

Reposted by @simplaix.bsky.social

HITS - Heidelberg Institute for Theoretical Studies @hitsters.bsky.social · 17/03/2026

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.

121

Reposted by @simplaix.bsky.social

Universität Heidelberg @uniheidelberg.bsky.social · 11/03/2026

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

23515

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

084

Reposted by @simplaix.bsky.social

HITS - Heidelberg Institute for Theoretical Studies @hitsters.bsky.social · 19/01/2026

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...

embl.org

In remembrance of Peer Bork | EMBL

EMBL and its community are deeply saddened by the death of Peer Bork, the organisation’s Interim Director General.

053

Reposted by @simplaix.bsky.social

HITS - Heidelberg Institute for Theoretical Studies @hitsters.bsky.social · 15/01/2026

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...

h-its.org

Predicting the Ever-Changing World of Protein Dynamics - HITS

In July 2025, a team of researchers from HITS and the Max Planck Institute for Polymer Research (MPIP) developed a model ...

074

Reposted by @simplaix.bsky.social

HITS - Heidelberg Institute for Theoretical Studies @hitsters.bsky.social · 11/12/2025

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

031

Reposted by @simplaix.bsky.social

HITS - Heidelberg Institute for Theoretical Studies @hitsters.bsky.social · 04/12/2025

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...

youtube.com

HITS-SIMPLAIX Colloquium: Rommie Amaro on Computational Microscopy for In Situ Molecular Dynamics

YouTube video by TheHITSters

083

Reposted by @simplaix.bsky.social

HITS - Heidelberg Institute for Theoretical Studies @hitsters.bsky.social · 02/12/2025

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

0244

Reposted by @simplaix.bsky.social

HITS - Heidelberg Institute for Theoretical Studies @hitsters.bsky.social · 27/11/2025

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

042

Reposted by @simplaix.bsky.social

HITS - Heidelberg Institute for Theoretical Studies @hitsters.bsky.social · 30/10/2025

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

022

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.

040

Reposted by @simplaix.bsky.social

HITS - Heidelberg Institute for Theoretical Studies @hitsters.bsky.social · 22/07/2025

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

085

Reposted by @simplaix.bsky.social

HITS - Heidelberg Institute for Theoretical Studies @hitsters.bsky.social · 21/07/2025

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.

093

Reposted by @simplaix.bsky.social

HITS - Heidelberg Institute for Theoretical Studies @hitsters.bsky.social · 14/07/2025

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%...

062

Reposted by @simplaix.bsky.social

Abhik @abhikgmoulock.bsky.social · 10/05/2025

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

051

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.

030

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! 💡

142

Reposted by @simplaix.bsky.social

Molecolab Pisa @molecolabpisa.bsky.social · 07/05/2025

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

151

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

031

simplaix.bsky.social @simplaix.bsky.social · 15/04/2025

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...

h-its.org

Manfred Fuchs Prize for SIMPLAIX researcher - HITS

Congratulations to our SIMPLAIX Principal Investigator Pascal Friederich (KIT) on the award of the Manfred Fuchs Prize 2025 for his outstanding research ...

130

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

075

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

041

Reposted by @simplaix.bsky.social

Stand Up for Science! @standupforscience.net · 12/02/2025

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

289114575402

Reposted by @simplaix.bsky.social

HITS - Heidelberg Institute for Theoretical Studies @hitsters.bsky.social · 12/02/2025

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...

youtube.com

HITS-SIMPLAIX Joint Colloquium: Cecilia Clementi on protein dynamics and Machine Learning

YouTube video by TheHITSters

043

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!

051

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! 😊

011

Reposted by @simplaix.bsky.social

HITS - Heidelberg Institute for Theoretical Studies @hitsters.bsky.social · 03/02/2025

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

0218

Reposted by @simplaix.bsky.social

HITS - Heidelberg Institute for Theoretical Studies @hitsters.bsky.social · 29/01/2025

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

youtube.com

HITS-SIMPLAIX Joint Colloquium: Simon Olsson on Generative AI and the physics of molecules

YouTube video by TheHITSters

0103

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

020

Reposted by @simplaix.bsky.social

HITS - Heidelberg Institute for Theoretical Studies @hitsters.bsky.social · 20/01/2025

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 events@h-its.org or register via ow.ly/qBGP50UIfxt for Zoom access.

0124

Reposted by @simplaix.bsky.social

HITS - Heidelberg Institute for Theoretical Studies @hitsters.bsky.social · 08/01/2025

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

0143

Reposted by @simplaix.bsky.social

HITS - Heidelberg Institute for Theoretical Studies @hitsters.bsky.social · 20/12/2024

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...

h-its.org

Frauke Gräter: “I will miss HITS.

After fifteen years at HITS, group leader Frauke Gräter will leave the institute at the end of the year. As ...

071