Machine Learning for Materials Design

Our lab leverages artificial intelligence and high-performance computing to accelerate the discovery and design of advanced materials. We focus on developing machine learning methods that advance first-principles simulations of electronic and atomistic structures, enabling unprecedented accuracy and efficiency in materials modeling.


Driven by a passion for fundamental discovery, our research bridges theoretical research with developing practical solutions to address critical challenges in materials science.

To learn more about our work, read the latest News from our lab, explore our Research Highlights for detailed insights into ongoing projects, and get to know the People behind our research. Visit our Publications page for a comprehensive overview of our scientific contributions, and find educational resources on machine learning and materials science under Teaching.


Our lab is a Research Department of the Center for Advanced Systems Understanding, Helmholtz-Zentrum Dresden-Rossendorf.