Simulation Driven Discoveries in Molecular Science
Physics South Building
A significant number of scientific discoveries in the past was driven by experiment with several exceptions. The coming fourth industrial revolution will be digital and computer simulation driven. Physical properties of almost all materials should be predictable, in principle, by solving the quantum-mechanical equations governing their constituent electrons. Such calculations require only a small number of chemical elements in appropriate positions through forces. In this presentation, simulation driven discoveries in recent years at Swinburne University through international collaborations will be discussed. In particular, the narrative of years collaboration with Univ. Melbourne (physics and chemistry) leading to the breakthrough of the structure of a catalysis ferrocene using IR spectroscopy will be presented. The study of chirality and NMR spectrum of the red wine molecule, resveratrol will be discussed. Finally recent breakthrough in calculating the Doppler shift of gamma-ray of alkanes will be presented.
Professor Feng Wang, Swinburne University
Professor Feng Wang
Feng Wang is Professor of Chemistry and Deputy Chair of Department of Chemistry and Biotechnology at Swinburne University of Technology. She received her PhD degree in theoretical chemistry at the University of Newcastle (NSW, 1994), worked at the University of Waterloo (19941996) as an NSERC Canada International Fellow and research fellow at School of Chemistry, The University of Melbourne (19962000). After a short period at a supercomputer centre, she joined Swinburne University of Technology in 2003. Feng has led many theoretical/computational chemistry driven discoveries in a broad spectrum of applications in medicinal, biological, solar energy, chemistry and physics. She is elected Fellow of RACI and AIP and has published over 150 peer reviewed journal articles. She is on Academic Sabbatical Leave JulyDecember 2017 jointly at Bio21 (Chemistry) and School of Physics and an Honorary Professor of University of Melbourne.