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
