SIMPLAIX Workshop 2026

Description

SIMPLAIX is a cooperation between the Heidelberg Institute for Theoretical Studies (HITS), the Karlsruhe Institute of Technology (KIT) and Heidelberg University, 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 will open soon.

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
• 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

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).