Friday, 9:00 – 13:00¶

Data Analytics IV: Kernel Methods¶

Complexity tool estimator for accurate forces learning: Monocrystalline Silicon example.¶

The goal of this tutorial is to show a possible application of kernel methods for forces prediction using nomad data and nomad infrastructure. This example is for classical MD data.

The user can access the tutorial by:

Going to the Analytics toolkit: https://analytics-toolkit.nomad-coe.eu/home/
Login with user specific details
Click on dashboard
Click on the tutorial called: /data/shared/mstella/tutorial_berlin2.bkr

Learning atomic charges¶

You can access this tutorial here:

https://labdev-nomad.esc.rzg.mpg.de/jupyter/tree/shared/afekete/tutorial

Classification of grain boundaries in Fe¶

This tutorial is also accessible from here: