Please join us Tuesday, September 18th from 2-4pm in the VizLab (151 Noyes) for our annual Open House.  At 2:30, we will be presenting the awards for this year's Image Challenge winners.

CITES NetFiles will be retired December 21, 2012. The retirement of this service has been endorsed by the IT Council and approved by the CITES Directors. CITES will begin communicating specific self-migration and support information to users in mid-to-late August.

 Schrödinger's spring 2012 seminar series. Web seminars begin May 22nd and run through May 31st.

New tutorial Introduction to Quantum Chemsitry with Spartan. This tutorial is designed to help getting started with Spartan. Single point energy, frequencies and normal modes calculations performed on molecules of water and formaldehyde. Molecular orbitals are calculated. Geometry optimization and calculation of proton affinity are introduced. No knowledge of Spartan, the quantum chemistry software, is assumed. Please see the Tutorial page.

A new annual license for ChemDraw is now available. ChemDraw Ultra is a chemical structure drawing software package designed to help both the beginning chemistry student and the expert researcher. The SCS Computer Center provides a graduate school license for ChemDraw Ultra. Our license allows us to distribute the software to anyone associated with the School of Chemical Sciences or the School of Life Sciences of the University of Illinois at Urbana-Champaign.

The lastest release of MOE from the Chemical Computing Group is now available.

New features are outlined on CCG's website: New In MOE 2011.10

Important: Changes to the license server for this version rendered previous versions inoperable.  If you are using version 2010, you can download an update to make it compatible.  You must be on the SCS network to download this update.  If you are using a version prior to 2010, you must update to the latest version before use.

The newest release of the Inorganic Crystal Structure Database is now available.  This release contains data for 140,116 structures, including 123,923 fully determined crystal structures with accompanying experimental data.

This database is available to everyone in SCS.  Contact computing [at] scs [dot] illinois [dot] edu to obtain a copy.

Spartan '10 from Wavefunction is now available to Scientific Software Program members.  New features include multi-dimensional energy profiles, Ramachandran plots (protein/nucleotide from PDB), and Raman spectra calculations from HF and DFT models.  The new version also improves parallel efficiency.  Please stop by our offices to pick up install media for the new version or download it from Wavefunction's site.

It is important that you upgrade soon as the license for continuing to use Spartan '08 will be unavailable.

The School of Chemical Sciences is proud to announce the SCS Science Image Challenge. We invite SCS graduate and undergraduate students, postdoctoral associates/fellows, and staff members, excluding Faculty members, to participate by submitting a computer-assisted or traditional scientific image designed to inform, educate and inspire. The entrant’s  Principal Investigator must be a faculty member or an affiliate/adjunct of the Chemical & Biomolecular Engineering or Chemistry Departments.