[Colloquium] Announcement: Computational Quantum Chemistry at the RCC

[Benjamin Recchie]

[RCC_logo]
Computational Quantum Chemistry
at the RCC

Jonathan Skone, Scientific Programming Consultant, Research Computing Center
Thursday, May 12, 2016, 2 p.m. – 3:30 p.m. | Kathleen A. Zar Room, John Crerar Library
This workshop is meant to guide those less familiar with quantum chemistry software in setting themselves up quickly to begin exploring computational chemistry for their own specific projects. The workshop offers tips to the veterans and provides an entry point to quantum chemistry software for novices. This workshop is most ideal for those researchers who want a quick primer to computational chemistry software to then explore on their own. In addition to giving information on how to use computational chemistry at the RCC, the course will establish that consulting with RCC is available to help users better direct and incorporate computational chemistry within their research plans.

The course will primarily focus on chemistry related applications (molecules and other finite systems). The outline will include but not limited to: (i) available software on Midway (setting up environment/loading executables), (ii) preparing input and submission scripts (e.g.: GAMESS, Gaussian, QE), (iii) Effective use of the Midway cluster (available parallelization in software Gaussian and QE examples), and (iv) post-processing analysis tools (Gaussian, GAMESS, and QE examples).


[http://mindbytes.uchicago.edu/left.jpg]
Level: This is an INTRODUCTORY level workshop.

[http://mindbytes.uchicago.edu/right.jpg]
Prerequisites: Working knowledge of basic command line directives. Basic understanding of electronic structure beneficial but not required.


[http://mindbytes.rcc.uchicago.edu/images1.jpeg]<https://training.uchicago.edu/course_detail.cfm?course_id=1652>
Complete list of RCC workshops<https://rcc.uchicago.edu/support-and-services/workshops-and-training>
RESEARCH COMPUTING CENTER<https://rcc.uchicago.edu/>
Email: training at rcc.uchicago.edu
Phone: (773) 795-2667
Walk-in Laboratory: Regenstein 216

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Please forward this message to any faculty, staff, or students who might be interested.

Benjamin Recchie
Communications, Outreach, and Project Manager, Research Computing Center
The University of Chicago
970 E 58th St., Room 340
Chicago, IL 60637
E: bcrecchi at uchicago.edu
T: 773.834.5546
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