Subject: Biochemistry Applications Software Workshop

From: [email-masked] (Jeanne C. Butler)
Date: Mon, 12 Aug 1996 15:44:41 -0500

Biochemistry Applications Software Workshop

October 20 - 22, 1996
Cornell Theory Center
Cornell University
Ithaca, NY

Registration deadline: September 6, 1996

The Cornell Theory Center (CTC), a nationally funded high-performance
computing and communications center, is offering three days of lecture and
laboratory sessions on some popular computational chemistry packages.  A
mix of software for electronic structure calculations and software for
molecular dynamics modeling will be presented by the developers.  There
will be time for hands-on work with each code using the CTC's 512-processor
IBM SP.

This workshop will emphasize choosing the right software package for your
application problem and using it effectively.  Participants are expected to
have some background theoretical knowledge of molecular mechanics, ab
initio molecular orbital theory, and semi-empirical methods; prior
experience with UNIX is highly desirable.

The speakers

Doug Fox, Gaussian, Inc.: Gaussian 94
Mark Gordon, Iowa State University: GAMESS
Byron Lengsfield, IBM Almaden Research Center: Mulliken
Rich Friesner, Columbia University & Schroedinger, Inc.: PS-GVB
Akbar Nayeem, Tripos, Inc.: SYBYL
Ping Yip, Molecular Simulations, Inc.: Discover, Insight, Affinity

Who should attend
----------------------
This workshop is appropriate for faculty, postdocs, and graduate students
interested in molecular modeling and electronic structure calculations.
Professionals in the pharmaceutical, biomedical, and chemical industries
may wish to attend.  Although several of the codes run in parallel on the
SP, no prior knowledge of parallel processing is required for this
workshop.

The facilities
---------------
One half-day session will be devoted to each software package.  Each talk
will be followed by a hands-on session in  CTC's training facility, giving
all participants a chance to work with the software with help from the
developer and CTC staff.  The training facility is equipped with 44 IBM
RS/6000 workstations and 12 SGI Indys.

Further information
-----------------------
For the latest detailed information on the agenda, the speakers, their
software packages, and registration forms, see
http://www.tc.cornell.edu/Edu/Upcoming/biochem.html.

For additional information, or to obtain a hardcopy version of the Web site
pages, please contact:

Jeanne Butler
[email-masked]

On October 18, 1996, CTC will also offer a symposium on structural biology.
See http://www.tc.cornell.edu/Events/oct96.symp.preannounce.html.