Nick Quirke, Principal Professor, Department of Chemical Physics, Imperial College, London, UK, Fellow of the Royal Academy of Chemistry, UK, Royal Society/KanTong Po Professor, University of Hong Kong, Changjiang Scholar, Xi'an Jiaotong University, Chair Professor of the Thousand-Year Plan, Editor-in-Chief of Molecular Modelling, Experimental Nanoscience and other SCI journals, Fellow of the Society for Nanoscience and Technology, Fellow of the Society for Nanoscience and Technology. Professor, Xi'an Jiaotong University, Changjiang Scholar, National Thousand Talents Programme Chair Professor, Editor-in-Chief of Molecular Simulation, Experimental Nanoscience and other SCI journals, NSTI Fellow Award, IEEE CEIDP Whitehead Lecture Award, former Chief Researcher of British Petroleum, Chief Researcher of Dubai, Ireland, and former Chief Research Fellow of Dubai, Ireland. He has been a Principal Research Fellow at BP, Vice-Chancellor of the University of Dublin, Ireland, and Dean of the Faculty of Engineering and Science.

Nick Quirke has been involved in theoretical research in the field of nanocomposites and insulating materials for a long time, especially focusing on the interaction between the interface of nanomaterials and matrix materials, with an emphasis on the morphology, chemistry, and the mechanism of electron trapping and hopping within the structure. mechanism. Three important molecular modelling techniques, Molecular Dynamics (MD), Monte Carlo (MC) and Density Functional Theory (DFT), are discussed, with examples of their applications in gas adsorption, bioelectrolyte membranes and electrical engineering.