We are excited to announce a workshop that brings together leading researchers and innovators from #academia and #industry to explore how #machinelearning is transforming #coarsegrained (#CG) modeling — and, with it, the future of molecular and materials #design.

This workshop builds on the momentum of the CECAM 2024 meeting in Lyon and the ACS Fall 2025 symposium at Washington DC, which together brought strong engagement from academia and industry — including major pharma, biotech, and tech companies. With this new edition, we aim to further strengthen the bridge between method development and real-world molecular and materials design challenges.

As simulations reach unprecedented scales, the synergy between #physicsbased CG models and #datadriven approaches is opening entirely new directions:

✨ Highly transferable CG models
⚡ Accelerated screening of complex systems
🔬 Deeper mechanistic insights into soft matter, biological systems, and advanced formulations

Over three days, the workshop will feature invited and contributed talks, posters, and plenty of time for discussion across four main themes:

• Delivery systems (lipid nanoparticles, vesicles, polymer carriers; self-assembly and release)
  

• Proteins, peptides, and small-molecule drugs (folding, binding, permeability, solubility; ML-enhanced CG models)
  

• Formulations and complex mixtures (surfactants, excipients, emulsions, industrial and consumer products)
  

• Polymers, polyelectrolytes, and intrinsically disordered proteins (sequence-to-property prediction, multiscale modeling)
  
  

Our goal is to create a focused and friendly environment where method developers and applied scientists — from both academia and industry — can exchange ideas, compare approaches, and build new collaborations.

The workshop will take place at École Normale Supérieure de Lyon, with support from CBPsmn and the CECAM FR-RA node. Additional information will be soon available.