Research

Our research ranges from quantum theories to real-world technologies, and is structured around three core streams: 

  1. Fundamental, first-principles theories that relate the microscopic behavior of atoms to macroscopic experimental observables;
  2. Development of physics-aware AI simulation methods to quantitatively solve first principles theories in realistic materials ranging from crystals to glasses;
  3. Application of theoretical and computational approaches to design and discover materials for the storage and management of information or energy—innovating on existing technologies in collaboration with industry, or even exploring new ones.

Examples of research projects are listed below; the full list of publications is available on Google Scholar.