Ziyun Wang

Dr. Ziyun Wang is a computational chemist specializing in theoretical catalysis and machine learning. He conducted his doctoral research in theoretical catalysis at Queen’s University Belfast and the University of Manchester under the guidance of Prof. Peijun Hu and Prof. Chris Hardacre. Subsequently, he conducted postdoctoral research at Stanford University with Prof. Jens Nørskov and Prof. Thomas Bligaard at Stanford University, and with Prof. Edward Sargent at the University of Toronto. In 2021, Dr. Wang joined the School of Chemical Sciences at the University of Auckland, where he is currently an Associate Professor. Dr. Wang has published 185 peer-reviewed papers and one book chapter, including corresponding-author papers in Nature, Science, Nature Catalysis, Nature Energy, Nature Chemistry, Nature Synthesis, Nature Sustainability, Nature Communications, Journal of the American Chemical Society, Angewandte Chemie, Advanced Materials, and other leading journals. His work has received more than 20,000 citations, with an h-index of 62. He has been recognised as a Global Highly Cited Researcher (Clarivate Analytics) since 2024 and was listed among the World’s Top 2% Scientists by Stanford University. At Auckland, the Wang Group has been at the forefront of exploring surface reactions in electrocatalysis, specifically targeting the carbon dioxide electrochemical reduction and the oxygen evolution reaction. The group's research endeavors are categorized into three main areas: 1. Advancing computational chemistry methodologies to accurately represent the realistic liquid-solid interface, encompassing solvent and electric field effects. 2. Leveraging cutting-edge machine learning techniques to enhance the efficiency of computational chemistry processes. 3. Delving into the reaction kinetics and thermodynamics of electrocatalysis systems through the use of density functional theory and microkinetic modeling. This focused approach not only aims at advancing the understanding of elementary steps and reaction mechanisms but also at pioneering new avenues in the field of electrocatalysis.