WebMO: Web-based, state-of-the-art, and cost-effective computational chemistry

CHED 250

William F. Polik, Department of Chemistry, Hope College, Holland, MI 49422-9000 and Jordan R. Schmidt, Department of Chemistry, University of Wisconsin - Madison, Madison, WI 53706.
WebMO (www.webmo.net) is a web-based interface for state-of-the art computational chemistry programs: Gaussian, Mopac, Gamess, and Molpro. Students draw molecules with a 3-D molecular editor, specify and submit calculations, and visualize chemical results from any computer using only a web browser. WebMO is easily learned by students in the classroom, yet offers complete control for specialists doing research. WebMO substantially lowers the cost and time barriers traditionally associated with teaching computational chemistry due to
  • Software: WebMO is free, as are Mopac and Gamess, and only a single license is required for other programs
  • Hardware: Only a single server is needed, rather than multiple workstations in a computer lab
  • Training: The same menu-driven, web-browser interface supports all programs
  • Labor: No software is installed on clients, and only one server is maintained
  • Accessibility: WebMO is available from dorms, labs, home, or anywhere with a web browser
The WebMO software package will be demonstrated, and curriculum support materials will be described.
 

Molecular Modeling on an Undergraduate Budget - A Symposium in Memory of Prof. Wayne P. Anderson
8:30 AM-10:45 AM, Wednesday, August 25, 2004 Loews -- Congress A, Oral

Division of Chemical Education

The 228th ACS National Meeting, in Philadelphia, PA, August 22-26, 2004