Welcome to the Computer Center

The Computer Center is an interdepartmental facility operated under the School of Chemical Sciences. Its goal is to provide the hardware, software, and personnel resources to facilitate the use of computational science and molecular modeling in theoretical and experimental research. The Computer Center is located along the south east corridor of the first floor of Noyes Laboratory.


Planned Network Outage Saturday, 6/28/2014

On Saturday, June 28th, SCS buildings will have sporadic network connectivity from 4 a.m. to noon due to major campus network upgrades.  If you have an office in other buildings on campus, you can click on the link below and see when your building will be affected.

Update: "Introduction to Quantum Chemistry with Spartan" tutorial

The tutorial "Introduction to Quantum Chemistry with Spartan" is designed to help getting started with Spartan. Single point energy, frequencies and normal modes calculations performed on molecules of water and formaldehyde. Geometry optimization and calculation of proton affinity are introduced. No knowledge of Spartan, the quantum chemistry software, is assumed.

Change to Minimum Lync Client Version

On the evening of February 4th, 2014, CITES will change the minimum Lync client version that is required to connect to Lync servers.

Windows XP End-of-Life Notification

As you may have heard, Windows XP is going to reach end-of-life (EOL) on April 8, 2014. This means that Microsoft will no longer support, upgrade, nor patch Windows XP products. Running a non-supported OS instance is disallowed from a policy perspective, and very risky from a security perspective.

New Tutorial: Quantum Chemistry with Gaussian using GaussView

This new tutorial is designed to introduce the preparation and analysis of quantum chemistry calculations using Gaussian with GaussView. This tutorial is designed to help your get started with GaussView. Geometry optimization and calculation of the IR and Raman spectra are performed and results are visualized. The systems of interest are toluene and p-cresole that can be thought of as mimics of phenylalanine and tyrosine amino acids. No prior knowledge of Gaussian or other quantum chemistry software packages is required.

SCS Science Image Challenge and VizLab Open House

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 Retirement

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.

Schrodinger's Spring 2012 Webinar Series

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

Posted New Tutorial Quantum Chemistry with Spartan

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.

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