I received my Ph.D. degrees from Eindhoven University of Technology and Dalian Institute of Chemical Physics supported by the Programme for Strategic Scientific Alliances between China and the Netherlands. Afterward, I continued as a postdoc at Eindhoven University of Technology, where I worked on the theory of catalytic conversions of clean and renewable raw materials for sustainable energy and chemical production. In 2016 I was awarded the Veni grant from Netherlands Organization for Scientific Research and joined Delft University of Technology to pursue her independent research in multiscale and operando modeling of the heterogenous catalytic reactions on the gas-solid interfaces.
Since February 2020, I have been working in the Organic Chemistry (ORC) and Biobased Chemistry and Technology (BCT) groups of Wageningen University & Research as an assistant professor. My current research focuses on computational surface and interface engineering. By using state-of-art and advanced quantum mechanical methodologies, the key objectives are to provide detailed information about the geometries, electronic structure and properties, and the dynamic interaction and reaction mechanism of gas-solid and liquid-solid interfaces at the atomistic level. The target is to build up the bottom-up structure-property-performance relationships, and therefore, to establish rational design principles for advanced material and process development based on the high-throughput hybrid computational framework.