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Training: Visualization and Analysis of Atomistic Simulation Data in OVITO
Dienstag, 15. November 2022 ► 13:00 - Donnerstag, 17. November 2022 ► 17:00
Name: Training: Visualization and Analysis of Atomistic Simulation Data in OVITO
Event type: Workshop
Date: November 15 to 17, 2022
Time: 1pm – 5pm
Format: Online via Zoom
Target Audience: HPC user
Contact Person: Dr. Daniel Utt
Desciption
Post-processing and analysis of atomistic simulations are essential steps to extract knowledge from the computed trajectories. Many commonly used algorithms are already implemented in OVITO and ready to be used on large datasets containing up to billions of atoms.
During day 1 you will learn how to load your simulation outputs into OVITO and process them in the graphical user interface using the built-in algorithms. We will discuss the most important tools and practice using them in hands-on exercises.
On day 2 we will look at the development of custom processing algorithms using OVITO’s Python extension interface, which lets you solve more complex analysis tasks.
On the last day we will step away from the graphical user interface and take a look at automated workflow scripts. This feature of OVITO lets you generate batch analysis pipelines that may be executed on HPC infrastructure to perform computationally intensive data analysis and visualization tasks in a reproducible way.
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