Research at the division of Materials Theory
The research carried out within the Division of Materials Theory covers a wide range of topics within materials and condensed matter physics. A selection of topics we are currently interested in is outlined in this section.
Atomic, ionic and polaronic diffusion in materials
The work carried out within our division relies heavily, but not exclusively, on computational methods. As part of our research effort we have developed a number of methods and tools which we use to address different problems. These include:
- The Uppsala Atomistic Spin Dynamics (UppASD) code.
- The RSPt code for electronic structure calculations.
- The Self-Consistent Ab Initio Lattice Dynamical (SCAILD) method.
- The Elk full-potential linearised augmented-plane wave (FP-LAPW) code.
- The Uppsala Quantum Chemistry Package (UQUANTCHEM) code.
- The EMTO: ab initio electronic structure and total energy code for alloys.