Marlies is a Research Fellow working in the areas of High Performance Computing, Computational Nanotechnology and Quantum & Molecular Dynamics Calculations.

Research projects

(1) Quantum Reactive Scattering Dynamics

(2) Time-Dependent Wavepackets

(3) Parallel and Cluster Computing

(4) Linux Clusters Management

(5) Gas Separation via Nanoporous Membranes

Professional qualifications

  • PhD in Theoretical/Computational Chemistry, October 1998-September 2001, University of Bristol, UK
  • Diploma in Mathematik mit Schwerpunkt Technik und Naturwissenschaften, Note: 2 (Master in Mathematics with specialisation in Technics and Natural Sciences, mark: 2.1), October 1991-September 1998, Darmstadt University of Technology, Germany

Work experience

  • September 2011 - present: Research Fellow, Australian Institute for Bioengineering and Nanotechnology and eResearcher with Queensland Cyber Infrastructure Foundation and the UQ Research Computing Centre, the University of Queensland, Australia 
  • September 2010: Research visit in the group of Dr. Tomas Gonzalez-Lezana, Institution de Fisica Fundamental, Spain
  • August 2010 - September 2010: Research visit in the group of Prof. Antonio Varandas at the University of Coimbra, Portugal
  • June 2009: Research visit in the group of Prof. Keli Han, Dalian Institute of Chemical Physics, China.
  • July 2008 - August 2011: Research Fellow, Australian Institute for Bioengineering and Nanotechnology, University of Queensland, Australia
  • July 2008: Research visit in the group of Prof. Uwe Manthe at the University of Bielefeld, Germany
  • June 2007 - July 2007: Research visit in the group of Prof. Gabriel G. Balint-Kurti at the University of Bristol, UK
  • March 2004 - June 2008: Postdoctoral Research Fellow, Centre of Computational Molecular Science, University of Queensland, Australia


  • December 2008: UQ Major Equipment and Infrastructure (MEI) grant Smith, Hankel, Monteiro, Middelberg, Martin, Cooper-White, Zhu, Nicholson
  • November 2007: UQ ECR grant: Hankel, Du; Stochastical models for multiphase kinetics of hydrogen storage in designed nanocomposite materials
  • 2007: ARC LIEF: Smith, Hankel, Bhatia, Lu, Middleberg, Cooper-White, Mark, Gilbert, Meridith, Huber, Yu, Ostrovski, Yang, Peng, Bao, Bernhardt, Dobson, Anissimov, Johnston; A computational facility for multi-scale modelling in Bio and Nanotechnology
  • September 2002: RSC bursary to attend a meeting on The Kinetics and Dynamics of Elementary Gas-Phase Reactions in Birmingham (UK)
  • April 2001: CCP6 bursary to attend the CCP6 workshop on Time-Dependent Quantum Dynamics in Bristol (UK)
  • September 2000: Euro Summer School grant to attend the Euro Summer School on Dynamics of Molecular Collisions Relevant to the Evolution of Interstellar Matter at the Weizmann Institute of Science, Rehovot (Israel)
  • May 2000: University of Bristol Alumni Foundation grant to attend the MOLEC conference in Jerusalem (Israel)
  • June 1999: Bursary to attend the COMET conference in Assisi (Italy)
  • October 1998-September 2001: University of Bristol Postgraduate Scholarship

Publications list: Click here to access the full publication list

Contact Marlies

Tel: +61 (0)7-33463996