4th SIMPLAIX Workshop on Machine Learning for Multiscale Molecular Modeling

Description

SIMPLAIX is a cooperation between the Heidelberg Institute for Theoretical Studies (HITS), the Karlsruhe Institute of Technology (KIT) and Heidelberg University, with the Max Planck Institute for Polymer Research (MPIP) as an additional partner for the second phase, focussed on bridging scales from (bio)molecules to molecular materials by multiscale simulation and machine learning (www.simplaix.org). RTG 2450 is a DFG-funded research graduate school at KIT on “Tailored Scale-Bridging Approaches to Computational Nanoscience” (https://www.compnano.kit.edu/index.php).

The Fourth SIMPLAIX Workshop on “Machine Learning for Multiscale Molecular Modeling” is again jointly organized by SIMPLAIX and the RTG 2450.

The first three SIMPLAIX workshops took place in May 2023, 2024 and 2025 (https://simplaix-workshop2023.h-its.org, https://simplaix-workshop2024.h-its.org/ and https://simplaix-workshop2025.h-its.org/). Similarly, the aim of this fourth workshop is to bring together scientists working in this vibrant field to share their research and discuss current challenges in an informal atmosphere.

Registration for this event is closed. For late registration please contact the organising team at events@h-its.org.

Confirmed speakers:

• Ilyes Batatia, University of Cambridge, UK
• Patrick Bryant, Science for Life Laboratory, Stockholm University, Sweden
• Bingqing Cheng, College of Chemistry, UC Berkeley, USA
• Qiang Cui, Department of Chemistry, Boston University, USA
• Fernanda Duarte, Department of Chemistry, University of Oxford, UK
• Luca Ghiringhelli, Scientific Computing Center, Karlsruhe Institute of Technology, Germany
• Yair Litmann, Max Planck Institute for Polymer Research, Mainz, Germany
• Ben Murrell, Department of Microbiology, Tumor and Cell Biology, Karolinska, Stockholm, Sweden
• Martin Stoehr, Department of Chemistry, Stanford University, USA
• Pratyush Tiwary, Department of Chemistry & Biochemistry, University of Maryland, USA
• Alexandre Tkatchenko, Department of Physics & Materials Science, University of Luxembourg
• Alexander Tong, AITHYRA Research Institute for Biomedical Artificial Intelligence, Vienna, Austria

Bluesky:

#SIMPLAIX26

Accommodation

The hotels below have rooms on hold for participants at special rates. Please email the hotel directly, quoting the booking code “SIMPLAIX Workshop” to confirm the exact price of the room.

• At the Hotel Anlage we have 2 ECO single rooms (89 Euros per night incl. breakfast), 2 standard single rooms (95 Euros per night incl. breakfast) and 4 double rooms (139 Euros per night incl. breakfast). This arrangement is valid until 1 April, so please make your reservation before that date.
• At the Hotel am Kornmarkt we have 1 standard single room (110 Euros per night incl. breakfast), 2 standard double rooms (120 Euros per night incl. breakfast), and 3 comfort double rooms (130 Euros per night incl. breakfast). This arrangement is valid until 15 February.
• At the Hotel 4-Jahreszeiten/ Hotel Schnookeloch we have 4 single rooms (92 Euros per night incl. breakfast) and 4 double rooms (118 Euros per night incl. breakfast). This arrangement is valid until 13 April.

All hotels are in the historic center of Heidelberg and close to the bus stop with a line going directly to HITS and the workshop venue.

Useful sites for finding accommodation in Heidelberg:

• https://tourismus.meinestadt.de/heidelberg/uebernachten (in German only)
• https://hotel-mix.de/hotels/germany/heidelberg-18096/cheap-and-budget-hotels
• https://www.booking.com/city/de/heidelberg.de.html
• https://www.heidelberg-marketing.de/planen/uebernachten/hotels
• https://www.preiswert-uebernachten.de/hotel-pensionen/heidelberg/4014 (in German only)

Travel

Travel to Studio Villa Bosch
(The workshop venue Studio Villa Bosch is right next door to HITS).