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Training: Visualization and Analysis of Atomistic Simulation Data in OVITO

Tuesday, 15. November 2022 ► 13:00 - Thursday, 17. November 2022 ► 17:00

Logo NHR4CES

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

Registration

*More information


 

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.

Details

Start:
Tuesday, 15. November 2022 ► 13:00
End:
Thursday, 17. November 2022 ► 17:00
Event Category:
Event Tags:
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Website:
https://www.nhr4ces.de/2022-11-15-training-visualization-and-analysis-of-atomistic-simulation-data-in-ovito/

Venue

Online
Deutschland

Organizer

NHR4CES