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Tutorial Details: Introduction to NWChem

Date: Tuesday, November 15, 2005, 01:00 pm - 03:00 pm
Location: 402 Walter
Instructor(s): Benjamin J Lynch, MSI

NWChem is a program that can be used to calculate a variety of chemical properties. NWChem is primarily used for carrying out electronic structure calculations. This tutorial will give an overview of the program capabilities, a detailed description of how to run the program here at the Institute, and tips on how to run jobs efficiently.

Prerequisites: General chemistry and basic UNIX knowledge is helpful