Luca Ghiringhelli

Luca Ghiringhelli is a Professor in the Department of Materials Science and Engineering at Friedrich-Alexander University Erlangen-Nürnberg, holding the Chair for Materials Simulation. His research focuses on computational materials science, artificial intelligence (AI) for materials discovery, and data-driven methodologies in electronic structure theory. He leads efforts in developing open-source toolkits like NOMAD and SISSO++ to advance materials informatics.

Key research interests include: (1) Machine learning for property prediction and catalyst design, (2) High-throughput computational screening of materials, (3) Advanced methods in density functional theory (DFT), and (4) Automated crystal structure analysis using AI. His work bridges quantum chemistry, big data, and experimental validation through collaborations with global research networks.

Recent contributions include defining metadata standards for FAIR materials data, advancing subgroup discovery for catalytic materials, and developing statistical learning approaches to extrapolate DFT calculations. His group also explores anharmonic effects in surface phase transitions and AI-driven analysis of electron microscopy data.

• Leads the NOMAD Research Data Infrastructure
• Co-developed SISSO (Sure Independence Screening and Sparsifying Operator) methodology
• Key contributor to FHI-aims and AiiDA software ecosystems