Dr Ziyun Wang

Associate Investigator

Towards Zero Carbon - Catalytic Architectures

Address:
School of Chemical Sciences
University of Auckland
Private Bag 92019
Auckland 1142

• 
• ziyun.wang@auckland.ac.nz

Biography

Ziyun Wang is a computational chemist specializing in theoretical catalysis and machine learning. He conducted his doctoral research in theoretical catalysis at the Queen’s University of Belfast and the University of Manchester under the guidance of Professor Peijun Hu and Professor Chris Hardacre. This was followed by postdoctoral research with Professor Jens Nørskov and Professor Thomas Bligaard at Stanford University and with Professor Edward Sargent at the University of Toronto. In 2021, Ziyun joined the School of Chemical Sciences at the University of Auckland.

Research interests

The Theoretical Catalysis Group (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 endeavours 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 modelling.

This focused approach not only aims to advance the understanding of elementary steps and reaction mechanisms but also to pioneer new avenues in the field of electrocatalysis.