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SUMMARY:Past\, present\, and future of semiempirical methods - Dr James J 
 P Stewart\, Stewart Computational Chemistry\, Colorado Springs\, USA
DTSTART:20100916T131500Z
DTEND:20100916T143000Z
UID:TALK26124@talks.cam.ac.uk
CONTACT:Susan Begg
DESCRIPTION:A highly personal overview of NDDO type methods will be given.
   These methods exemplify semiempirical quantum chemistry in that they sho
 w that a combination of theory\, reference data\, and parameter optimizati
 on can result in theoretical structures of useful accuracy.  When incorpor
 ated as computer programs\, the result has been a set of tools that have b
 ecome widely used. The focus of this talk will be on the philosophical asp
 ects\, covering the history of these methods\, their steadily-increasing a
 ccuracy and range of applicability\, current problems and limitations\, an
 d speculations regarding the possible futures of such methods. 
LOCATION:Unilever Lecture Theatre\, Unilever Centre for Molecular Informat
 ics\, Dept. of Chemistry
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