We study the dynamics of spins, atoms, molecules and materials on different length and time scales. The spin is used to study magnetics and superconductivity while the atom is used to study various aspects of material dynamics. For many material dynamics simulations it is sufficient to use the atoms as the smallest building blocks, not the electron as we do in electronic structure theory. This modelling theory is usually called Molecular Dynamics (MD) - more specifically Molecular Mechanics based Molecular Dynamics (MM-MD).

The group is studying atoms, molecules, clusters and material properties through the calculation of its electronic structures. For this we apply laws of quantum mechanics in the form of the Schrödinger equation using wave function methods and, foremost, density functional teori (DFT).

Division of Materials Science

[http://www.ltu.se/org/tvm/Avdelningar/Materialvetenskap?l=en]

Department of Engineering Sciences and Mathematics

[http://www.ltu.se/org/tvm?l=en]

Page Editor and Contact: Fredrik Silvearv

Published: 6 December 2013

Updated: 17 September 2014

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