Deyu Lu PhD

Deyu Lu's research interest is to develop and apply first-principle methods, including density functional theory and many-body perturbation theory, to study the fundamental physical properties of materials. Current research topics include catalytic properties of 2D model zeolite, first-principles modeling of X-ray spectroscopy (e.g. XPS, XAS, and XES) in catalysis and battery materials, and understanding the structure-property relationship of materials with machine learning methods.