About the Conference

The aim of the symposium is to bring together researchers working on the exploration of chemical space, broadly defined. The meeting will focus on conceptual, methodological, and computational advances that enable the discovery, understanding, and prediction of properties of molecules and materials across vast chemical spaces. A central goal of the meeting is to foster cross-fertilisation between these communities and stimulate new collaborations bridging theory and experiment. The symposium also celebrates the 50th birthday of Prof. Anatole von Lilienfeld, highlighting his personal adventures in chemical (and physical) space and their impact on modern theoretical and computational chemistry.

Where

Université de Luxembourg, Luxembourg
Campus Limpertsberg

When

Thursday to Friday
10–11 December 2026

Sessions Overview

This workshop is designed to foster lively discussions and the exchange of ideas, with the following session formats:

Invited Talks: 20-minute presentations followed by 10 minutes of discussion.

Poster Session: An interactive space to showcase ongoing research and spark collaborations.

Sessions

• Foundations of Quantum Machine Learning
• Data-Driven Exploration & Datasets
• Synthesis-Aware Discovery & Laboratory Automation
• First-Principles Exploration
• Advancing Molecular Dynamics
• Bridging Scales
• Probing Response
• Catalysis & Reaction Mechanisms