Wenzhe Yu
Computational Science 2
Biography
Education
- Ph.D., Materials Science, Duke University (2020)
- B.S., Material Physics, Fudan University (2014)
Research interests
- First-principles modeling of molecules, solids, defects, surfaces, interfaces, and nanostructures with applications in quantum and energy technologies.
- Development of large-scale electronic structure theory, particularly density-functional theory, many-body perturbation theory, and quantum embedding for thousands of atoms utilizing high-performance computing.
- Development of machine learning and data-driven approaches for materials and quantum simulations.