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Julian Gale

Prof. Julian Gale (ARC Laureate Fellow) is a computational chemist working on both the development of new simulations and their application. He is the author of the GULP code for lattice dynamics, as well as a core-developer of the SIESTA package for linear-scaling electronic structure theory. Research interests include the nucleation and crystal growth of minerals, nanoporous frameworks, materials for energy storage and conversion, and molecular crystals of relevance to pharmaceutical application.


Andrew Rohl

Prof. Andrew Rohl is a leading expert in the application of supercomputing and computer simulation technologies in materials chemistry with more than 120 published papers to his name. He completed an honours degree in Chemistry at UWA before moving to the UK and obtaining a D. Phil. from the University of Oxford.  He then undertook post-doctoral studies at the Royal Institution of Great Britain in London, where he used supercomputers to solve important problems for the oil industry. Returning to Perth in 1996, he used supercomputing to solve problems of relevance to the mineral processing industry. In 2004, Professor Rohl became the Executive Director of iVEC and developed a successful partnership across five institutions to provide major advanced computing facilities for all Western Australian researchers. This culminated in the $80 million Pawsey Centre, a world-class purpose-built data centre at Technology Park that houses the largest research supercomputer in the Southern Hemisphere. In 2012, Professor Rohl returned to his substantive role as Professor of Computational Science at Curtin and became the inaugural director of the Curtin Institute for Computation. In August 2018 he successfully led a bid to establish the ARC Training Centre for Transforming Maintenance through Data Science under the Industrial Transformation Training Centres program. Currently Professor Rohl is the Head of School for Electrical Engineering, Computing and Mathematical Sciences.



Nigel Marks

A/Prof Nigel Marks is a material scientist with a long standing interest in atomistic computer simulation. He received his PhD in 1997 at The University of Sydney and worked at the Australian Nuclear Science Technology Organisation and the Queen’s University of Belfast before returning to Sydney University on an ARC Postdoctoral Fellowship. After five years as a teaching and research academic, he moved to Curtin in 2008 to develop a program in nuclear materials simulation. In 2012 he was awarded an ARC Future Fellowship on nanodiamond synthesis from carbon onions. His other research interests include self-assembly in carbon, radiation damage in solids, semiconductor nanostructures and chemical effects due to beta-decay.


Paolo Raiteri

Prof. Paolo Raiteri joined the Department of Chemistry at Curtin University in 2008, first as a Targeted Research Fellow then as an ARC Research Fellow (ARF). Subsequently he was awarded an ARC Future Fellowship and is now a member of academic staff in the School of Molecular and Life Sciences. His research interests include computational geochemistry, with particular focus on dissolution and growth of minerals in aqueous environment.



Irene Suarez-Martinez

Dr Irene Suarez-Martinez is an ARC Future Fellow whose research interests include the atomistic modelling of carbon nanoforms, such as graphene and carbon nanotubes, using ab-initio and semi-empirical methods.






Raffaella Demichelis

Dr Raffaella Demichelis (ARC Future Fellow) joined Curtin University in 2010 (post-doc 2010-2012; Early Career Curtin Research Fellow 2013-2017), after completing her PhD at Università degli Studi di Torino. She is currently an ARC Future Fellowship (2018) and was recently awarded as one of WA’s Young Tall Poppies (2020). She is an expert in the application of first principles and classical methods within the chemical, geochemical and materials sciences. Her main research interests include nucleation and crystal growth, biomineralisation, mineral and carbon nanotubes, polymorphism, materials for clean energy production.



Jacob Martin

Dr Jacob Martin completed a Bachelor of Science with First Class Honours in Chemistry and Physics followed by Masters in Chemistry at the University of Auckland (New Zealand). This included research in the areas of ultrafast spectroscopy, Raman spectroscopy, Bayesian data analysis, computational chemistry and microfluidics. He received his PhD in 2019 at the University of Cambridge studying the formation of soot in flames using molecular dynamics and electronic structure methods to explore the self-assembly of soot and disordered carbon materials. In 2020 he was a research fellow at the Cambridge Centre for Carbon Reduction in Chemical Technology in Singapore working with industry to decarbonise the petrochemical sector. In 2021 he was awarded the Forrest Fellowship to study the storage of hydrogen in carbon nanomaterials in the Hydrogen Storage Research Group and Carbon Group at Curtin University in Perth, Australia. His other research interests include flexoelectricity in 2D carbons, 3D graphene, giant fullerenes, carbon blacks, the reactivity of carbon nanostructures, methane decarbonisation and biochar.

Peter Kraus

Dr Peter Kraus (Forrest Fellow) has just joined Curtin from the Fritz Haber Institute in Berlin to perform computational studies of materials for sustainable energy.





Post-doctoral Research Fellows

Post-graduate Students

  • Several PhD scholarships available – please contact Julian Gale or Raffaella Demichelis.
  • Mr Blake Armstrong
  • Mr Alvin Walisinghe

Summer Intern Students

  • Ms Rebecca Green (Australian National University)
  • Mr Jamie Attree (Curtin University)

Adjunct Professors

Adjunct Research Fellows

Recent Academic Visitors

  • Prof. Mark Tuckerman (New York University)
  • Prof. Bart Kahr (New York University)
  • Prof. William Carlson (Uni. Texas at Austin)
  • Dr Jeff Pigott (Case Western University)
  • Dr Patricia Acero (Birkbeck College, London)
  • Mr Jie Zhang (East China University of Science and Technology)

Former Group Members

  • Prof Kate Wright (University of Western Australia)
  • Dr Bernhard Reischl (University of Helsinki)
  • Dr Piotr Kowalcyzk (Murdoch University)
  • Dr Dino Spagnoli (University of Western Australia)
  • Dr Evelyne Deplazes (University of Technology Sydney)
  • Dr Zak Hughes (University of Bradford)
  • Dr Zoe Taylor (CSIRO)
  • Dr Marco De La Pierre (Pawsey Supercomputing Centre/CSIRO)
  • Dr Sean Fleming (Pawsey Supercomputing Centre/CSIRO)
  • Dr Daniel Grimwood (Pawsey Supercomputing Centre/CSIRO)
  • Prof Feiwu Zhang (Institute of Geochemistry, Chinese Academy of Sciences)
  • Dr Michel Sassi (Pacific Northwest National Laboratory)
  • Dr Kasia Koziara (University of Queensland)
  • Dr Julie Aufort (Geosciences Environnement Toulouse, CNRS)
  • Dr Marc Robinson
  • Dr Ante Bilic (Geoscience Australia)
  • Dr Wen Zhao
  • Dr Damien Carter (Intertek Genalysis)
  • Dr Phill English (Inpex)
  • Dr Shani Sperinck (Alcoa)
  • Dr Sergey Lunkov (Energy Resources Australia)
  • Dr Burak Cankurtaran (Co-founder & CTO, Fans.Inc)
  • Dr Karl Jalkanen (Gilead Sciences)
  • Dr Carla de Tomas Andres (Marie Curie Fellow, Imperial College London)
  • Dr Zhaochuan Fan (Suzhou Institute of Nano-Tech and Nano-Bionics)
  • Dr Tony Ling (Red 5 Ltd)
  • Dr Emily Byrne
  • Dr Craig Moir (joint with University of Aberdeen)
  • Dr Mustafa Hamad