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Chemical and Quantum Physics

Left to right (top): Kelly Walker, Brett Webber, Jared Cole, Salvy Russo, Chris Feigl, George Opletal, Akin Budi.
Left to right (bottom): Jan Jeske, Jackson Smith, Muhammad Ahmed, Daniel Drumm, Tim DuBois, Manolo Per, Peter Zootjens.

The theory of quantum mechanics underpins our understanding of the physical world and is central to most modern technology. In the Chemical and Quantum Physics group we use the tools of quantum mechanics to investigate the atomic structure of molecular and solid state systems and make predictions about their stability, mechanical, electronic and optical properties (Chemical Physics). We also probe the laws of quantum mechanics through the theoretical analysis of a range of systems, including spin impurities, spin ensembles, quantum-dots, photonic band-gap materials and low-temperature quantum circuits (Quantum Physics).

Our group has expertise in the use of techniques such as Hartree-Fock (HF) and beyond HF theories, Density Functional Theory (DFT) and the Quantum Monte Carlo (QMC), Reverse Monte Carlo, Kinetic Monte Carlo, Molecular Dynamics and Lattice Dynamics. Our quantum physics investigations include exploring a range of phenomena including decoherence, entanglement, quantum measurement, multi-particle effects and the transition between phase coherent and incoherent behaviour.

In recent years members of our group have published in Nature Physics, Proceedings of the National Academy of Sciences, Nanoletters, Physical Review Letters, Physical Review A/B/E, Journal of Chemical Physics, Nanotechnology, Chemical Physics Letters.

For further information, please contact Professor Salvy Russo.

People

Core capabilities

• Density Functional Theory
• Quantum Monte Carlo
• Kinetic Monte Carlo
• Hybrid Reverse Monte Carlo
• Molecular Mechanics
• Master Equation Approaches

Selected projects

Quantum Physics

• Superconducting circuit theory for information processing and metrology
• Spin physics, entanglement, measurement and decoherence
• Atom-photon interactions and the boundary between quantum optics and condensed-matter

Computational Materials Modelling

• Phosporous-doped Silicon, 2010-current
• Environmentally sensitive equilibrium morphology phase mapping of nanoparticles/nanorods, (Collaboration with CSIRO), 2010
• Titanium Defects in α-Quartz With a Focus on Properties Relevant to Geo-Thermometers, (Collaboration with CSIRO), 2010
• Nitrogen-vacancy defects in Diamond, 2010
• Nano Au, (ARC Discovery Grant), 2004-Current
• Nano Carbon and Nano Boron Nitride Based Materials, (Collaboration with Oxford University), 2002-2007
• Computer Modelling of Ionic Liquids as Electrolytes and their Interaction with Electrode Surfaces, (CSIRO Flagship Fellowship Grant, International Science Linkages Grant), 2007-2009
• Room Temperature Ionic Liquids, (CSIRO Flagship Fellowship Grant, International Science Linkages Grant), 2008-2010

External collaborators

• Prof. Lloyd Hollenberg: School of Physics, University of Melbourne, Australia
• Dr Amanda Barnard: Materials Science and Engineering, CSIRO, Australia
• Prof. Gerd Schön: Institut für Theoretische Festkörperphysik, Karlsruhe Institute of Technology, Germany
• Prof. Alexander Shnirman: Institut für Theorie der Kondensierten Materie, Karlsruhe Institute of Technology, Germany
• Prof. Alexey Ustinov: Physikalisches Institut, Karlsruhe Institute of Technology, Germany
• Prof. Susana Huelga: Institute of Theoretical Physics, University of Ulm, Germany
• Prof. Kae Nemoto: National Institute of Informatics, Tokyo, Japan
• Dr. Sonia Schirmer: Department of Applied Mathematics and Theoretical Physics, University of Cambridge, UK
• Dr. Jason Ralph: Department of Electrical Engineering and Electronics, University of Liverpool, UK
• A/Prof. Andrew Greentree: School of Physics, University of Melbourne, Australia
• Prof. Robert Elliman: Department of Electronic Materials Engineering, Research School of Physics & Engineering, ANU
• Prof. Yuan Ping Feng: Department of Physics, National University of Singapore, Singapore
• Prof. Richard Needs: Theory of Condensed Matter Group , Department of Physics, Cambridge University, UK
• Prof. Kurt Binder: Theory of Condensed Matter Group, Institute of Physics , Johannes Gutenberg-University, Mainz, Germany
• Prof. Suk-Ho Choi: Department of Applied Physics, Kyung Hee University, Korea
• Prof. Grant Smith: Department of Materials Science and Engineering , University of Utah, USA
• Dr. Nick Wilson: CSIRO Division of Process Science and Engineering
• Dr. Robert Rees: CSIRO Division of Energy Technology