HPC for Materials Modeling and Simulations
Ended Mar 10, 2025
2 credits
Spots remaining: 9
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Full course description
Term: Spring 2025
Date: March 10th, 2025
Time: 10:00am - 12:00pm
Location: University Mall 2104 & Online through Zoom
Instructor: Sarah Ghazanfari
Presesnted By: Advanced Research Computing (ARC)
Description:
Please Note only 25 seats are available in person
This workshop offers an in-depth exploration of high-performance computing (HPC) for materials modeling and simulations. Aimed at PhD students, postdoctoral researchers, and faculty members, this workshop will introduce participants to essential computational techniques and tools, utilizing available resources effectively. Through practical sessions, attendees will gain hands-on experience running materials modeling software on advanced research computing (ARC) clusters.
Learning Objectives:
• Gain an understanding of the role of HPC in materials modeling and simulations.
• Learn about various resources available for materials modeling and how to leverage them.
• Acquire practical skills in running materials modeling software on ARC clusters.
• Develop proficiency in using specific materials modeling software, including assisted model building with energy refinement (AMBER), GROMACS, nanoscale molecular dynamics (NAMD), and atomic/molecular massively parallel simulator (LAMMPS).
Prerequisites:
• Basic understanding of materials science concepts.
• Familiarity with computational modeling and simulation techniques.
• Prior exposure to Linux/Unix environments will be advantageous.