ProfJeffrey Reimers

Current research is based mainly at Shanghai University but presents many opportunities for involvement of UTS students. It focuses on:

1) Development of methods for protein structure refinement from X-ray, neutron scattering, or Cryo-EM data using quantum chemical treatment of the atoms and full atomic representations of amorphous regions. These new methods are being implemented into the PHENIX biomolecular structure package with 15,000 worldwide users. Experimental collaborators with new and difficult structures are encouraged. Research projects include coding and/or development of new algorithms, and structure solution.

2) Understanding low-energy excited states in photosynthesis. Most photosynthetic systems involved in solar light harvesting, including critical ones in green plants like photosystem-I and photosystem-II, show low-energy absorptions that often can contribute to primary charge separation and solar energy capture despite being too low in energy to contribute via excepted photosynthetic mechanisms. This project involves interpreting a wide range of spectroscopic data to determine what is going on, focusing first on the simplest systems. This work is in collaboration with Elmars Kraus at the Australian National University and with Arvi Freiberg at Tartu University in Estonia.

3) Nuclear and electronic structure of materials and surfaces with modern applications. This work is in collaboration with experimentalists at UTS like Milos Toth and theoreticians like Mike Ford, as well as with the theoreticians Noel Hush at Sydney University, Daniel Kosov at James Cook University, Wei Ren, Jingzhe Chen, YongLe Li, and Liu Yi at Shanghai University, and Hong Guo at McGill University Canada. Surfaces can be modified in many ways through lithography techniques, and monolayers can be self assembled on them. Diamond, graphite, silicon, and gold surfaces are all of current interest. In many cases the surfaces conduct electricity or show interesting magnetic properties, and the connection between structure and function is always paramount. The relationship between quantum and classical transport is critical.