Subject: UK Seminar: Computer-Aided Chemistry

From: David Gallagher <[email-masked]>
Date: Mon, 08 Feb 1999 12:26:32 -0800

*  Computer-Aided Chemistry for the Experimentalist
   UK Seminars: 23, 24, 25 February 1999 (10.00-13.00)
     - 23rd: Stockley Park, Uxbridge (London)
     - 24th: Univ. of Warwick Science Park, Coventry 
     - 25th: Cambridge Science Park, Cambridge
New tools that enable the chemist to calculate properties of both small and
large molecules (e.g. proteins, DNA, crystals, polymers, etc.) in solution
on both UNIX and Windows-based personal computers, are becoming available
through recent developments in quantum mechanics (QM). The seminar will
review a range of chemistry applications that can be addressed by these new
tools, including prediction of physical, chemical and biological properties
such as UV-visible & IR spectra, reaction pathways, thermodynamics &
kinetics, non-linear optics, water solubility, vapor pressure,
carcinogenicity, etc. Application of these new tools to Quantitative
Structure-Property Relationships (QSPR & QSAR) will also be discussed.
Recent QM algorithm developments and breakthroughs will be reviewed by
guest speaker, Dr. J. J. P. Stewart (author of MOPAC). Examples of
intuitive new graphical interfaces (e.g. WinMOPAC) that make these
productivity tools easy to use by experimental chemists, and ideal for
education, will be demonstrated. Some SW on CD will be available free to
attendees. The seminars are sponsored by Fujitsu and attendance is free. If
you are unable to attend, you may request the seminar proceedings packet.

Details and registration from: Ms. Renee Williamson, Fujitsu Systems
Limited, 2 Longwalk Road, Stockley Park, Uxbridge Middlesex, UB11 1AB. Tel
0181 606 4566, Fax 0181 606 4580, E-mail: [email-masked]

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 David A. Gallagher, C. Chem.        email: [email-masked]