Workshop: Introduction to UNICHEM
Date: 28-apr-1994/29-apr-1994
Location: Laboratorio de Sistemas Integraveis
Departamento de Engenharia Eletronica
Escola Politecnica da Universidade de Sao Paulo
UniChem is a quantum mechanical molecular modelling package developed by
Cray Research. It integrates a graphical user interface and a number of
quantum chemistry codes into a seamless environment. The codes included
are MNDO93, a semi-empirical package developed by Prof. Thiel at
University of Zurich, CADPAC, a Hartree-Fock code developed by Prof.
Handy's group at Cambridge, and DGauss, a density functional code
developed by Cray Research.
The goal of the workshop is to introduce participants to the methods
underlying the UniChem system and to give users a through understanding
of the overall system. The workshop includes enough hands-on training to
allow participants to use UniChem and advantages of the salient features
of the package.
Program:
The Program consists of lectures and hands-on training sessions.
09:00 - 10:15 -> Introduction to UniChem.
10:15 - 11:00 -> Hands-on Session.
11:00 - 12:00 -> Semi-Empirical and Density Functional Theory
13:30 - 15:00 -> Hands-on Session
15:00 - 15:30 -> Hartree-Fock Theory
15:30 - 16:30 -> Hands-on Session
16:30 - 17:00 -> Future Developments
Registration:
Attendance per day will be limited to 12 places, wich will be assigned
by inscription order.
Name: _______________________________________________________________
Title: _______________________________________________________________
Affiliation: __________________________________________________________
Address: __________________________________________________________
City: _____________________ - State: ____ - Zip: ____________________
Phone: (___) ___-____ - Fax: (___) ___-____
e-mail: ____________________________________
Please, return this form to:
(a) casimiro at lsi.usp.br
or to:
Casimiro de Almeida Barreto
Laboratorio de Sistemas Integraveis
Departamento de Engenharia Eletronica
Escola Politecnica da Universidade de Sao Paulo
Av. Prof. Luciano Gualberto, trav. 3, 158
05508-900 - Sao Paulo - SP - Brasil
Tel: +55 11 818-5270/5589/5254
Fax: +55 11 211-4574
