Artificial intelligence (AI) is transforming how scientific discovery is done. From predicting protein structures and simulating materials behavior to accelerating chemical synthesis, data-driven approaches have become indispensable across scientific disciplines. This Focus Group brings together experts from chemistry, physics, biology, and computer science to advance the use of machine learning and computational modeling for understanding and designing complex molecular and material systems.
The group aims to harness AI to bridge scales - from atoms to materials and from molecules to biological assemblies - and to uncover new physical and chemical principles underlying structure, dynamics, and function. This interdisciplinary collaboration combines expertise in theory, experiment, and data science to explore new paradigms in scientific AI and establish Mainz as a hub for AI-driven molecular and materials research.
By fostering joint education and collaboration between MPIP, MPIC, and JGU, the Focus Group also contributes to the training of the next generation of scientists capable of applying advanced AI tools to molecular and materials challenges, ensuring they can navigate the rapidly evolving landscape of data-driven research.
