Dr. Mario Eden: Into the Lab - Computer-aided Molecular Design

Dr. Mario Eden

Dr. Mario Richard Eden

Joe T. and Billie Carole McMillan Associate Professor
Department of Chemical Engineering
Auburn University

Many of the solvents, lubricants, heat transfer fluids, coatings, etc. used by various manufacturing industries today are likely to be replaced within the next 10 years.  Increasingly strict environmental regulations and the need to maintain a competitive advantage will demand the development of new chemical products with superior performance and limited or even zero environmental impact.  Furthermore, many specialty chemicals, biochemicals, pharmaceutical products, plastics and so on may be produced only in small quantities and have a limited time on the market. Given these considerations, it is critical to reduce the development time of new products. Relying solely on experimental synthesis of new chemicals is a time consuming and often prohibitively expensive approach. Dr. Eden’s research group is developing systematic computer aided tools and algorithms that assist in the design of novel chemical structures that exhibit desired physical properties. Furthermore, the effect of changing the molecular configuration or atomic arrangement can be evaluated in seconds compared to having to experimentally synthesize a new compound and test its performance. These methods, developed by Dr. Eden and his students, enable the rapid generation of a finite number of candidate molecules that should be investigated experimentally, thus limiting the time and cost intensive experiments to only those chemicals that show the highest performance potential.

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Last Updated: Feb 09, 2011