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    COLLOQUIUM OF THE LABORATORY FOR COMPUTER DESIGN OF MATERIALS
        Institute for Computational Sciences and Informatics
	                      (CSI 898-Sec 001) 

          Computer Modeling of Chemical and Biochemical Systems 
                    Using Density Functional Methods 

		            Sherif Kafafi 
    Center for Advanced Research in Biotechnology, Gaithersburg, MD  
           
 Recent advances in computer technology and the concomitant development 
of elegant ab initio and density functional codes greatly facilitated 
the exploration of potential energy surfaces of numerous chemical and 
biochemical systems.  The talk will focus on the application of a 
recently developed density functional methodology to radical-radical 
reactions of importance to combustion chemistry, metalloenzyme catalysis   
and  quantitative structure-activity relationships.  In addition, the 
usefulness of quantum mechanical computations in the general field
of bioinformatics will be discussed.

	                  Monday , April 26 199
                                  4:30 pm
                         Room 206, Science & Tech. I

Refreshments will be served.
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Find the schedule at http://www.csi.gmu.edu/lcdm/seminar/schedule.html