This title appears in the Scientific Report : 2019 

Advanced methods for atomic scale spin simulations and application to localized magnetic states
Müller, Gideon (Corresponding author)
JARA - HPC; JARA-HPC
JARA-FIT; JARA-FIT
Quanten-Theorie der Materialien; IAS-1
Quanten-Theorie der Materialien; PGI-1
Jülich Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag 2019
194 p.
Dissertation, RWTH Aachen University, 2019
978-3-95806-432-4
Book
Dissertation / PhD Thesis
Controlling Configuration-Based Phenomena
Controlling Spin-Based Phenomena
Schriften des Forschungszentrums Jülich Reihe Schlüsseltechnologien / Key Technologies 205
OpenAccess
Please use the identifier: http://hdl.handle.net/2128/23565 in citations.
A few short words on progress. I believe that the truth of scientific progress and understanding lies in simplification in its various forms – in the sense of distillation and reduction to leave only that which is essential. It might mean that a new generationhas an intuition about ideas too abstract for the previous generation, a prime example of which is how quantum mechanics is now taught to Physics students already in their second year. Another facet might be a new mathematical representation inwhich an idea suddenly becomes clearer. On the other hand one might have to take a step back and revisit old ideas and representations and reformulate them. This is the progress I set out to achieve in my work: simplifying and improving the mathematical and computational tools for the methods in this field of science for the next generation of students, so that they may find them more obvious, clearer and easier to use, in one word simpler. Simplification can also mean easier access to knowledge, which is why significant stress was placed on the open availability of the written software and it was designed to be easy to use by anyone, anywhere and on any device. My wish for this project was not simply to have people use the software, but to enhance collaboration by helping the exchange of results and reducing the barrier to view and even reproduce the work of others. Many of the goals I set for my project I have achieved and I firmly believe that the directions taken are the right ones and that the tools which have been created will make it easier for new scientists in magnetism to gain an intuitive understanding of the systems they study and the methods they apply. Furthermore, I maintain that the mathematical framework presented here has the potential to describe more methods and models from the same point of view.