AiiDAlab Tutorial - Developing GUIs for Scientific Workflows

Offered By: Materials Cloud via YouTube

Course Description

Overview

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Explore AiiDAlab's capabilities for developing graphical user interfaces (GUIs) for scientific workflows, making them accessible to novice users. Learn about AiiDAlab architecture, simple app development on Jupyter Notebook, and practical applications in on-surface chemistry and electronic structure calculations. Discover how to generate and verify pseudopotentials using the Pseudopotential toolbox, and compare different pseudopotentials for optimal results in quantum simulations.

Syllabus

Intro
Running complex scientific workflows in the browser using AiiDAlab
AiiDAlab architecture
Simple App development on Jupyter Notebook
On-surface Chemistry using AiiDAlab - Empa
Electronic structure with Quantum ESPRESSO
Pseudopotential toolbox generate pseudopotential and verify its qu
Pseudopotential toolbox (compare the pseudopotentials)
Summary

Taught by

Materials Cloud

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