Prof. Anatole von Lilienfeld joins the Faculty of Physics


We welcome Anatole von Lilienfeld, the newly appointed professor for “Computational Materials Discovery”, and his team. Together they develop and apply machine learning methods which enable the design or discovery of new materials using quantum mechanics, big data, statistical mechanics, and computing.

The research focus of Prof. von Lilienfeld is highly interdisciplinary employing physical, mathematical, and computational sciences for the quantum mechanics based exploration of chemical space. For this, his research team rely on the principles of physical chemistry as encoded in popular atomistic simulation codes which apply quantum mechanics, thermodynamics, and statistical mechanics to real materials, Machine Learning, and high-performance computing. Prof. von Lilienfeld has been awarded multiple research grants among them an ERC Consolidator grant. He drives collaborations with leading Machine Learning (incl. Google Accelerated Science) and quantum chemistry experts.

CV Prof. Anatole von Lilienfeld