Condensed matter theory

Our research

Our group's focus is on ab initio investigations of materials and surface science phenomena. First-principles electronic structure calculations are used in conjunction with high performance computing to probe chemical reactions at interfaces and explore the energetics, atomic, electronic, and magnetic properties of polyatomic systems.

The processes that occur at surfaces play a critical role in the manufacture and performance of advanced materials (electronic, magnetic and optical devices, sensors, catalysts and hard coatings). The research methods developed and knowledge gained will have applications in a range of physical, chemical, biological, medical engineering and material science problems.

Our goal is to acquire a detailed understanding of the fundamental science to engineer and design complex materials; for example, catalysts with greater selectivity and efficiency, and new electronic devices.

Our staff

• Professor Cathy Stampfl
• Dr Jianli Wang
• Dr Ping Wu
• Dr Peng Zhang
• Dr Rupan Kaur
• El-Abed Haidar
• Daan van Schijndel

Collaborators

• Professor Matthias Scheffler
• Professor Art Freeman
• Dr Bernard Delley
• Professor Chris Van de Walle
• Professor Simon Ringer
• Dr Juarez Da Silva
• Dr Xiangyuan Cui
• A/Professor Jun Huang
• Professor Mike Ford
• Dr Sherif Tawlik
• Dr Leigh Weston
• A/Professor Aloysius Soon