Subject: MOPAC2000 SEMINAR: Applications and New Developments

From: George Vacek <[email-masked]>
Date: Fri, 6 Aug 1999 10:26:07 -0700 (PDT)

SEMINAR: Applications and New Developments of MOPAC2000 for the
Experimental Chemist

DATES & VENUES:  
September 13-17, 1999
     - 13th: Washington, D.C. 9:00AM - 12:00PM
     - 14th: Newark, DE       1:00PM - 4:00PM
     - 15th: Philadelphia, PA 1:00PM - 4:00PM
     - 16th: Parsippany, NJ   1:00PM - 4:00PM
     - 17th: Boston, MA       1:00PM - 4:00PM

October 4-8, 1999 (Tentative)
     - 4th: Chicago, IL       1:00PM - 4:00PM
     - 5th: Houston, TX       1:00PM - 4:00PM
     - 6th: San Diego, CA     1:00PM - 4:00PM
     - 7th: Palo Alto, CA     1:00PM - 4:00PM
     - 8th: Seattle, WA       9:00AM - 12:00PM

Registration Deadlines: East - September 3; West - September 24

WHO SHOULD ATTEND: Research and development chemists and managers in
the following areas of chemistry: organic, inorganic, polymer, bio,
solid state, spectroscopy, computational, and educational.

ABSTRACT: 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 advances (the
patented MOZYME technology) in quantum mechanics.  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 QSPR & QSAR will also be discussed.  Recent QM algorithm
developments and breakthroughs will be reviewed by guest speaker,
Dr. J. J. P. Stewart (creator of MOPAC) including MOZYME to optimize
giant molecules of up to 20,000 atoms on a Windows PC.

The seminars are sponsored by Schrodinger, Inc. and attendance is
free; however, space is limited.  Please register at our website
(http://www.schrodinger.com/mopac_tour.html) before the appropriate
registration deadline to ensure a space is reserved for you.  Exact
locations and directions will be sent to all registered attendees.  If
you have any questions or comments, please contact Dr. Shi-Yi Liu by
email at [email-masked] or by phone at +1 503 299-1150.