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HITS - Heidelberg Institute for Theoretical Studies @hitsters.bsky.social · Jul 22

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

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HITS - Heidelberg Institute for Theoretical Studies @hitsters.bsky.social · Jul 21

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.

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HITS - Heidelberg Institute for Theoretical Studies @hitsters.bsky.social · Jul 14

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%...

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Abhik @abhikgmoulock.bsky.social · May 10

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

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simplaix.bsky.social @simplaix.bsky.social · May 9

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 · May 8

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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Molecolab Pisa @molecolabpisa.bsky.social · May 7

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

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simplaix.bsky.social @simplaix.bsky.social · May 7

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 · Apr 15

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...

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 ...

www.h-its.org

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simplaix.bsky.social @simplaix.bsky.social · Apr 7

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 · Mar 17

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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Stand Up for Science! @standupforscience.bsky.social · Feb 12

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

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HITS - Heidelberg Institute for Theoretical Studies @hitsters.bsky.social · Feb 12

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...

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

YouTube video by TheHITSters

www.youtube.com

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simplaix.bsky.social @simplaix.bsky.social · Feb 11

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 · Feb 4

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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HITS - Heidelberg Institute for Theoretical Studies @hitsters.bsky.social · Feb 3

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

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HITS - Heidelberg Institute for Theoretical Studies @hitsters.bsky.social · Jan 29

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

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

YouTube video by TheHITSters

www.youtube.com

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simplaix.bsky.social @simplaix.bsky.social · Jan 28

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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HITS - Heidelberg Institute for Theoretical Studies @hitsters.bsky.social · Jan 20

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.

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HITS - Heidelberg Institute for Theoretical Studies @hitsters.bsky.social · Jan 8

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

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HITS - Heidelberg Institute for Theoretical Studies @hitsters.bsky.social · Dec 20

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...

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 ...

www.h-its.org

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HITS - Heidelberg Institute for Theoretical Studies @hitsters.bsky.social · Dec 19

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

HITS-SIMPLAIX Joint Colloquium: Markus Meuwly on Machine Learning & Protein Research

YouTube video by TheHITSters

www.youtube.com

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simplaix.bsky.social @simplaix.bsky.social · Dec 16

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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