Tutorial Details: Introduction to NWChem
|Date:||Tuesday, November 15, 2005, 01:00 pm - 03:00 pm|
|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|