NERSCPowering Scientific Discovery Since 1974

Chemistry and Material Sciences Applications

June 26, 2012
Jack Zhengji

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.


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

Video: Material Sciences and Chemistry Beginning Topics