Quantum Mechanical Modelling of Materials: Theory, Computations, Analyses, and/or Programming

You will learn how to master the commercialized software package VASP, and by utilizing high-performance supercomputers you will analyze scientifically interesting materials. The approaches and algorithms are based on the Kohn-Sham method within the density-functional theory, using regular local density functional as well as hybrid functionals to better describe the electron charge density. The project can also include programming of physical models linked to the DFT calculations. Details of the master project and choice of materials will decided after discussion.

Our team explores various compounds for semiconductor technologies, like next generation solar cells, solar-fuel conversion, quantum technologies as well as 2D- and layered material structures. The research also covers material studies of ice/water interfaces, sensors, power batteries, ferroelectrics, and smart windows.

Recommended courses

• FYS-MENA4111 – Quantum Mechanical Modelling of Nanomaterials (first semester)
• FYS4110 – Modern Quantum Mechanics
• FYS4430 – Condensed Matter Physics II