NCSA NEWS

NCSA Host September Computational Chemistry Workshop

released September 5, 2000

NCSA will host a computational chemistry workshop Sept. 13-15 at the University of Illinois in Urbana-Champaign. The workshop will introduce two new chemistry packages—Jaguar from Schrödinger, Inc., and NWChem from Pacific Northwest National Laboratories. Both packages are available to the national user community through NCSA.

The workshop will include lectures and demonstrations from the software providers, and talks on new methods and applications of quantum chemistry, such as natural bond order analysis, ab initio molecular dynamics, quantum monte carlo techniques, and non-linear optical property computations.

Researchers with knowledge of molecular modeling methods using (semi)empirical and ab initio molecular orbital methods are encouraged to attend the workshop. An online registration form is available at http://www.ncsa.uiuc.edu/SCD/Training/. Space is limited to 20 attendees and will be reserved on a first-come, first-served basis.

A workshop agenda is available at http://www.ncsa.uiuc.edu/SCD/Training/chemistry/chem.agenda.html. Questions and comments about this workshop should be directed to scd-training@ncsa.uiuc.edu.

 

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