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HPC Applications: Computational Fluid Dynamics HIGH-PERFORMANCE COMPUTING SERVICES

HIGH-PERFORMANCE COMPUTING SERVICES

HPC Applications: Materials Science

Computational Fluid Dynamics (CFD) is a branch of fluid mechanics that uses numerical analysis and data structures to analyze and solve problems that involve fluid flows. This course teaches through hands-on examples how to: pre- pare a CFD model (pre-processing), run simulations (processing), and analyze results (post-processing). Well-known commercial codes like Fluent, Converge, and AcuSolve will be used for analysis. Test cases on open source CFD codes like OpenFOAM will also be discussed. The attendees will be given temporary access to Shaheen and commercial software for hands-on learning sessions. After completing this training, researchers will be able to run CFD analysis on Shaheen at scale. Moreover, they will be able to pick the right tools for their end- to-end CFD workflows. PARTICIPANT PROFILE This course is intended for students who are taking CFD courses and would like to learn how to use commercial CFD codes on Shaheen; experimentalists who would like to compare their experimental results with numerical simulations or would like to narrow down the design parameters of their experiments; and in- dustrial users. This course can also be of interest to those who are running CFD codes on their workstations and would like to scale up their simulations. Basic understanding of PDEs is desired. PREREQUISITES • Active Shaheen account MAXIMUM PARTICIPANTS 40 DURATION 2 hours FREQUENCY Yearly

Computer Material Science is a branch of material sciences that uses theoretical concepts and models from chemistry, physics, geology, mineralogy, and biology; incorporated into software applications in order to calculate the structure and the properties of molecules, gases, liquids, and soft and condensed matter. Attendees will learn, through hands-on examples: how to use computational chemistry codes on Shaheen in general; how to do scalability tests for a specif- ic chemistry case; and practical tricks that can improve the performance of the simulation (Using VASP as an example). PARTICIPANT PROFILE This course is intended for research professionals from KAUST who would like to learn how to scale and tune input parameters in chemistry software to speed up DFT calculations. Basic experience in using VASP is desired. PREREQUISITES • Active Shaheen account MAXIMUM PARTICIPANTS 40 DURATION 2 hours FREQUENCY Yearly

Learn Develop Excel

Specialized Instrument & Method Training Catalog

Edition 1, September 2020

291

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