(7ib) Computational Modeling of Catalytic Reactions and Nanomaterials: Mechanisms and Structure-Function Relationships

My experiences of computationally-guided chemical discovery fall into two major directions: (1) understanding new energy-relevant catalytic materials, underlying structure-function relationships that would guide further catalyst discovery, and the mechanisms of reactions on the catalytic materials that are relevant to the energy and environments; and (2) understanding the fundamental properties of atmospheric aerosols, providing new molecular-level insight into the composition and physicochemical properties of aerosol surfaces and their interactions with water, and elucidating of how the arrangement of molecules at the surface of sea spray aerosols influences the chemical reactivity of these particles in the lower atmosphere. Theoretical models and computational techniques were developed to facilitate the discoveries. In this poster, I will first present several related projects that have been published and then illuminate in detail of several proposing research projects in the field of catalysis and materials.

Teaching Interests:

I deeply value the vocation of teaching and am excited about the prospect of contributing to the undergraduate and graduate programs. Although I academic training background is mainly in chemistry, but I am willing to teach at all levels of courses including thermodynamics and courses advanced electives aligned with my own research and the needs of the department. I would develop a new Computational Catalysis and Computational Materials course for graduate students and in addition to contributing to the computational curricula for undergraduates. So that students can gain the first-hand experience of computational chemistry/chemical engineering.