About

These notes accompany the Computational Tools lectures for the 2025 Neutrons for Sustainable Energy training school at KTH Stockholm.

The material is organised in three parts:

Part Topic Lecture
I Calculating \(E(r)\) Lecture I
II Structure and Dynamics Lecture II
III Configurational Disorder Lecture III

The notes can be read before the lectures as preparation, used during the lectures as reference, or consulted afterwards for review. They are also intended to stand alone for readers who did not attend the training school.