Workshop on UniChem at LSI

Casimiro de A. Barreto kofuji casimiro at lsi.usp.br
Mon Apr 25 13:40:27 EST 1994


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






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