ELIZA’s fellow receives an ERC Advanced Grant for LearningOFDFT

The grant supports a new Scientific AI project on precise and stable molecular energy calculations using an orbital-free approach.

We are delighted to congratulate Prof. Fred Hamprecht, head of the Scientific AI Group at the Interdisciplinary Center for Scientific Computing (IWR), on receiving one of the European Research Council’s prestigious ERC Advanced Grants. The grant will support his project Learning Orbital-Free Density Functional Theory (LearningOFDFT). The project aims to develop new methods for the precise and stable calculation of molecular energies based on electron densities, using what is known as an orbital-free approach. At the heart of LearningOFDFT is a major challenge in computational science: how can we predict molecular energies accurately and efficiently without relying on orbitals? By combining ideas from density functional theory, molecular science, and artificial intelligence, the project explores how Scientific AI can help approach long-standing problems in a new way.

“I am thrilled by the fact that scientific AI allows us to start cracking long-standing hard problems,” says Fred Hamprecht. “Many thanks to STRUCTURES, who supported this project from day one, when it was still an extremely high-risk endeavor; and to my institute, the IWR, as well as ERC and its reviewers, who had the courage to invest into truly interdisciplinary work!”

The ERC Advanced Grant is awarded by the European Research Council to outstanding established researchers pursuing ambitious and groundbreaking research projects. The grants are part of the European Union’s Horizon Europe programme and can support projects for up to five years. For ELIZA, this recognition highlights the growing importance of Scientific AI in tackling complex research challenges across disciplines. We warmly congratulate Prof. Fred Hamprecht and the Scientific AI Group on this outstanding achievement.