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Computer-Aided Molecular Design of Ionic Liquids: An Overview

Derick C. Weis A and Douglas R. MacFarlane A B
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A School of Chemistry, Monash University, Clayton, Vic. 3800, Australia.

B Corresponding author. Email: douglas.macfarlane@monash.edu




Derick C. Weis completed his Ph.D. entitled ‘Cheminformatic Applications with the Signature Molecular Descriptor: Virtual Screening and Computer-Aided Molecular Design’ in 2010 at Tennessee Technological University. He is currently a research fellow in the Monash Ionic Liquids Group at Monash University supported by the U.S. National Science Foundation International Research Fellowship Program. His current research interests include using computer-aided molecular design to predict physical properties for ionic liquids.



Professor Doug MacFarlane is currently an Australian Research Council Federation Fellow at Monash University and leads the Monash Ionic Liquids Group. He will take up an Australian Laureate Fellowship in early 2013. He is also the program leader of the Energy Program in the Australian Centre for Electromaterials Science. He was a Ph.D. graduate of Purdue University in 1982 and after post-doctoral work at Victoria University, Wellington, took up a faculty position at Monash. Professor MacFarlane was elected to the Australian Academy of Sciences in 2007 and to the Australian Academy of Technological Sciences and Engineering in 2009. His research interests include the chemistry and properties of ionic liquids and solids, and their application in a wide range of technologies from electrochemical (batteries, fuel cells, solar cells, and corrosion prevention) to biotechnology (drug ionic liquids and protein stabilisation) and biofuel processing. He is an Adjunct Professor of the University of Alabama, an International Fellow of the Queens University Ionic Liquid Laboratory, Belfast, and a Visiting Professor of the Chinese Academy of Science.

Australian Journal of Chemistry 65(11) 1478-1486 https://doi.org/10.1071/CH12344
Submitted: 19 July 2012  Accepted: 22 August 2012   Published: 2 October 2012



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