Michelle Coote

Computer Aided Chemical Design

Current Group Members

Prof Michelle Coote

Professor Michelle Coote is a graduate of the University of New South Wales, where she completed a B.Sc. (Hons) in industrial chemistry (1995), followed by a Ph.D. in polymer chemistry (2000). Following postdoctoral work at the University of Durham, UK, she joined the Research School of Chemistry, Australian National University in 2001, initially as a postdoctoral fellow with Professor Leo Radom. She established her own research group in 2004 and has recently taken up an ARC Future Fellowship. She has published extensively in the fields of polymer chemistry, radical chemistry and computational quantum chemistry, and is a member of the ARC Centre of Excellence for Free-Radical Chemistry and Biotechnology. She has received many awards including the 2001 IUPAC prize for young scientists, the RACI Cornforth medal (2000), Rennie medal (2006) and David Sangster Polymer Science and Technology Achievement Award (2010), and the Le Fevre Memorial Prize of the Australian Academy of Science (2010).

Contact Information


Email:coote'at'rsc.anu.edu.au
Phone: +61 2 61253771

Dr Leesa Smith

Leesa Smith is an Experimental Research Officer in the Computer Aided Chemical Design Research Group. She has a wide range of industry research and laboratory experience in a range of disciplines including fibre cement, starch chemistry and drug particle engineering with supercritical fluids. Her research interests include the control of stereoregularity in free radical polymerisations and developing the group's laboratory capabilities.

Contact Information


Email:leesa'at'rsc.anu.edu.au
Phone: +61 2 61258307

Ms Ganna (Anya) Grynova

Anya (Ganna) Gryn'ova is a PhD Student in the Computer Aided Chemical Design Research Group. Her research interests include ab initio kinetic modelling of photo- and thermo- oxidative degradation in polymers and biopolymers, development and improvement of the stabilisation techniques for commercial polymers, as well as bimolecular nucleophilic substitution mechanisms. Anya is also a Postgraduate Teaching Fellow.

Contact Information


Email:agrynova'at'rsc.anu.edu.au
Phone: +61 2 61254039

Ms Tamara Meirelles

Tamara is a PhD student in the Computer Aided Chemical Design Research Group. Her research involve the application of QM and QM/MM methods to study the mechanisms, energy profiles and kinetics of chemical reactions in biological systems.

Contact Information


Email:tamara.meirelles'at'anu.edu.au
Phone: +61 2 61254039

Mr Benjamin Noble

Benjamin Noble is a PhD Student in the Computer Aided Chemical Design Research Group.

Contact Information


Email:u4524714'at'anu.edu.au
Phone: +61 2 61255411

Mr Ahmed Elaaf Mohamed

Elaaf is a PhD Student in the Laser and Optical Spectroscopy, Chemical and Structural Biology and Computer Aided Chemical Design Group.

Contact Information


Email:u4477422'at'anu.edu.au
Phone: +61 2 61255411

Mr Richmond Lee

Richmond Lee is a PhD Student in the Computer Aided Chemical Design Research Group. His project focuses on computational modeling and design of novel polyacrylate and antioxidants to address polymer degradation.

Contact Information


Email:u5231814'at'anu.edu.au
Phone: +61 2 61258307

Mr Peng Yuan

Peng is a Masters student in the Computer Aided Chemical Design Research Group.

Contact Information


Email:pyuan'at'rsc.anu.edu.au
Phone: +61 2 61255411

Ms Ellen Swann

Ellen is an honours student in the Computer Aided Chemical Design Research Group. Her project consists measuring and calculating the pKa's of alkoxyamines and nitroxides to study the radical formation affects. In addition, she will be modelling radical intermediates of biomolecules to see how the radical formation affects them. The second part of her project will be carrying out novel pH-initiated room temperature nitroxide mediated polymerization in the lab.

Contact Information


Email:u4850006'at'anu.edu.au
Phone: +61 2 61254039

Mr Andrew Smith

Andrew is an honours student in the Computer Aided Chemical Design Research Group.

Contact Information


Email:u4672642'at'anu.edu.au
Phone: +61 2 61258307

Ms Sarah Faulkner

Sarah is an honours student in Chemical and Structural Biology and Computer Aided Chemical Design Group. Her project involves using computational modeling and mutagenesis studies to determine whether a radical SAM enzyme uses the switching effect to help facilitate its catalysis.

Contact Information


Email:u5312448'at'anu.edu.au
Phone: +61 2 61254039

Mr Aravindhan Ganesan

Aravindhan Ganesan is an Endeavour Fellow in the Computer Aided Chemical Design Research Group. He holds a Masters in Bioinformatics (2007) and a PhD in computational/theoretical chemistry (2013) from Swinburne University. His research interests combine the applications of quantum mechanics and molecular mechanics based approaches with structural bioinformatics for understanding the structure-properties of biomolecules and enzymes towards novel lead design and discovery. His current work in the research group focuses on studying the spectroscopic properties of some switchable radicals, in collaboration with 'state-of-the-art' experiments.

Contact Information


Email:aganesan'at'daad-alumni.de
Phone: +61 2 61255411

Past Group Members

Dr Ekaterina (Katya) Pas (née Izgorodina)

Senior Lecturer in Monash University

Dr Mansoor Namazian

Dr Sundaram Arulmozhiraja

Sundaram Arulmozhiraja was a Research Fellow in Computer Aided Chemical Design Research Group. He is using computational chemistry approaches, wavefunction-based as well as density-based, to problems of chemical/biological interest in physical organic chemistry, biological chemistry, photochemistry, and reaction intermediates. Some of the projects he is currently actively pursuing involve neurotransmitter Arsenicin and Adamantane-based compounds.

Dr David Brittain

David Brittain was a PhD Candidate in the Biochemical Reactions and Molecular Recognition Research Goup as well as the Computer Aided Chemical Design Research Group. His research looks at computational chemistry of free radical reactions.

Dr Isa Degirmenci

Isa Degirmenci is a Postdoctoral Fellow in the Computer Aided Chemical Design Research Group. His interest is modeling the free-radical polymerization kinetics by using quantum chemical tools. His main goal is understanding the structure-reactivity relationship of the monomers.

Dr Junming Ho

Junming Ho is a Research Fellow in the Computer Aided Chemical Design Research Group. His research involves the use of computational and practical chemistry to understand chemical reactivity, and their associated applications in synthesis and biochemistry. He lectures in the course Practical Aspects of Computational Chemistry.

Dr Ching Yeh Lin

Academic Consultant in NCI