Chemistry and Material Sciences Applications
NERSC Training Event
09:00 - 12:00 PST
June 26, 2012
Concurrently presented on the web and at NERSC's Oakland Scientific Facility
Attendance: 45
Chemistry and Material Sciences Applications
Zhengji Zhao, NERSC User Services Group
Jack Deslippe, NERSC User Services Group
The first hour of the training is targeted at beginners. We will show you how to get started running material science and chemistry application codes at NERSC. We will demonstrate how to use the preinstalled VASP and Gaussian applications at NERSC efficiently.
In the second hour, we will discuss more advanced use cases, such as managing workflows, compiling optimized versions of custom material science and chemistry applications.
In the third hour, we will have an optional in depth BerkeleyGW tutorial session for those interested in learning to use Quantum ESPRESSO + BerkeleyGW at NERSC for calculating excited state properties of materials.
Agenda
9:00 - 9:50 - Mat. Sci. + Chemistry Beginning Topics
9:50 - 10:05 - NOVA - The NERSC Online VASP Tool
10:10 - 10:50 - Mat. Sci. + Chemistry More Advanced Topics
11:00 - 11:50 - Quantum ESPRESSO and BerkeleyGW at NERSC
Downloads
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intro-matchem-NERSC-2012.pdf | Adobe Acrobat PDF file
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Mat.-Sci.-Training2.pdf | Adobe Acrobat PDF file
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BGW-at-NERSC-1.pdf | Adobe Acrobat PDF file
