Dr. Marlies Hankel will attend the GRS and COMET in Arcachon, France from 2^nd to 7^th June 2007. She will present two abstracts. The first abstract, 'State-to-state differential cross sections for the

H+H{_2} reaction employing the DIFFREALWAVE code and five potential energy surfaces', has been selected as an oral presentation at the GRS and as a poster presentation at the COMET. The second abstract,"State-to-state reaction probabilities for the H+O{_2} reaction on three potential energy surfaces', has been selected as an oral presentation at the COMET'."

Dr. Marlies Hankel will attend the QRS workshop in Cambridge, UK from 18th to22nd July 2007'and will present a poster with the title "State-to-state differential cross sections for the H+H{_2} reaction employing the DIFFREALWAVE code and five potential energy surfaces."
　

A paper on quantum chemical modelling of the proton chain-transfer pathway involved in the Green Fluorescent Protein by Sufan Wang and Sean Smith features on the front cover of the journal Physical Chemistry Chemical Physics in January 2007. Graphics generated by Seth Olsen and Linda Li.

Marlies Hankel is going to attend the 6th RACI Conference on Physical Chemistry (OPC2007) in Adelaide from 28 January to Friday 2 February 2007. She will be giving a talk on "Differential Cross Sections for the H₃ System on Five Potential Energy Surfaces"

Sean Smith, Hong Zhang, Aijun Du and Pierre Tran attended ARCCFN Annual Conference in Newcastle, NSW, Australia 27-29 Nov 2006.

• Hong Zhang presented the poster in " Mixed Quantum Dynamics / Molecular Dynamics Simulations of Transport Properties of Hydrogen / Deuterium in Nano-porous Materials, Advances in Functional Nanomaterials ".

• Pierre Tran presented the poster in "Molecular Dynamics Calculations Of  Nanoparticles Complex Interacting NO^3- "
  　

Marlies Hankel visited University of Sheffield, University of Manchester, and University of Bristol, Bristol UK on October 2006. She gave talks on "The Centre for Computational Moelcualr Science: Facilities and Research Projects".  And Research visit of few collaborators:  Dr. Anthony Meijer ( University of Sheffield), Prof Jonathan Connor ( University of Manchester) and Prof Gabriel Balint-Kurti (University of Bristol).

Sean Smith and Hong Zhang attended  the Theory of Molecular and Macromolecular Kinetics: A Symposium in Honour of Professor Bob Gilbert's 60th Birthday in The University of Sydney, NSW, Australian 20-22 Oct 2006. 

Sean was one of the Symposium Chairs.

Hong presented a poster in "Quantum Mechanical Unimolecular Disssocation Rates: Computing Resonances for the Full Thermal Range of Angular Momenta".

Marlies Hankel in collaboration with Prof. Gabriel Balint-Kurti from the 
University of Bristol (UK) has developed a new parallel real wavepacket code 
to calculate differential cross sections (J. Chem. Phys. 125, 164303 (2006)). 

The code has been successfully tested for the H3 system and is being 
currently further developed to treat more complex systems. The code which is  
available on request under license has been distributed to 7 international 
groups since its first publication on 24-October-2006. Three of these groups 
have entered a collaboration. 

Sean Smith has been awarded the Friedrich Wilhelm Bessel Research Award of the Alexander von Humboldt Foundation, one of Germany's most prestigious international fellowships. 

The Alexander von Humboldt Foundation grants only 20 Friedrich Wilhelm Bessel Research Award annually across all disciplines worldwide, and the prize is award to top international scientists and scholars who are recognized as outstanding researchers in their field.

Sean will be spending a year in Germany in the city of Göttingen at the Max Plank Institute for Biophysical Chemistry.

Hong Zhang has won the Australian Academy of Science nomination for a JSPS Invitational Fellowship 2006/2007.  Hong is a Research Fellow and the Quantum and Molecular Dynamic Group Leader in the Centre. He will visit the laboratory of centre's collaborator, Associate Professor Shinkoh Nanbu at Computing and Communications Centre in Kyushu University for 10 months.

The JSPS IF is a prestigious fellowship, with only one nomination each year being awarded for an established Australian researcher to visit Japan.

Hong Zhang attended the Chinese Academy of Science Symposium on "the Theoretical Shemistry and Parallel Software" in Zhangjiajie, China, 9-13 July 2006. He had invited to give a talk in " Parallel Computations in Quantum Lanczos Representation Methods".

Pierre Tran attended the ICONN Conference in Brisbane, Australia, 3-7 July 2006. He presented a talk in "Molecular Dynamics Simulations of Interactions between LDH, Nanoparticle Sytems, and Bioorganic Molecules: NO3-, Nucleotides and DNA Strands".

Sean Smith, Aijun Du and Pierre Tran attended the ABBINTech Conference in Brisbane, Queensland, Australia, March 2006.

• Sean was invited to give a talk. The talk's topic is "Bottom Up Simulations in Bio- and Nano-technology: Hydrogen storage, Nanoparticle-based molecular delivery and Fluorescent Proteins"

Sean Smith, Aijun Du and Seth Olsen are going to attend the MM2006 Conference in Perth, WA Australia, April 2006.

• Sean was invited to give a talk in Material Modeling. The topic of talk is "Model Chemistry: What can we learn about complex system?"

  　

• Aijun  presented posters in following topics:

1. Structural and Electronic Properties of Diazonium Functionalized Single Walled Carbon Nanotubes (SWCNT): A First Principles Study
2. Ab initio study the hydrogenation of magnesium with incorporated Ti atom on the surface.

• Seth  presented the poster in the following topics:

1. Computational Characterizations of Red Fluorescent Protein Chromophores

2. Combining Theory and Experiment to Illuminate the Mysteries of Red Fluorescent Proteins

Seth Olsen attended the Biophotonics in Australia/ FABLS Workshop in Sydney, Australia, Feburary 2006.

Seth was invited to give a presentation in "The Bright, Excited State of Fluorescent Protein Chromophores"