SDL Materials Design presents

Training: Visualization and analysis of atomistic simulation data in OVITO

Date: November 15-17, 2022; Format: online via Zoom

Short abstract:

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.

Information about SDL Materials Design

About:

Dr. Daniel Utt is a postdoc in the Materials Modelling Group at TU Darmstadt. He has more than 6 years of experience working with OVITO – utilizing its advanced features in his research. This course is sponsored by the German NHR4CES project, which seeks to provide training and support to the computational materials science community.

The workshop will be held online using Zoom and offered free of charge. Registration is required for administrative purposes only.

Registration:

Date:

European Time Slot:

  • Tue, Nov 15, 2022: 1:00 PM – 5:00 PM (CET / UTC+1)
  • Wed, Nov 16, 2022: 1:00 PM – 5:00 PM (CET / UTC+1)
  • Thu, Nov 17, 2022: 1:00 PM – 5:00 PM (CET / UTC+1)

American Time Slot:

  • Tue, Nov 15, 2022:
    6:00 PM – 10:00 PM (CET / UTC+1)
    12:00 PM – 4:00 PM (EST / UTC-5)
    9:00 AM – 1:00 PM (PST / UTC-8)
  • Wed, Nov 16, 2022:
    6:00 PM – 10:00 PM (CET / UTC+1)
    12:00 PM – 4:00 PM (EST / UTC-5)
    9:00 AM – 1:00 PM (PST / UTC-8)
  • Thu, Nov 17, 2022:
    6:00 PM – 10:00 PM (CET / UTC+1)
    12:00 PM – 4:00 PM (EST / UTC-5)
    9:00 AM – 1:00 PM (PST / UTC-8)

Contact person

Dr. Daniel Utt

TU Darmstadt