Materials Science
The research within materials science starts from the smallest of building blocks to see how they combine to produce the properties of materials.
Current projects:
Methods for magnetism and magnetization dynamics
We develop new theories and computational methods to study and understand fundamental magnetic phenomena. These methods are applied to predict new functional magnetic materials needed for future sustainable applications.
Long-term project, period 2010–present
PI/contact: Olle Eriksson
University: Uppsala University
Materials Theory
Skyrmions, particle-like winding magnetic structures, might be utilized in future computational applications. The image illustrates a skyrmion that has been stabilized by interfacial chemical disorder.
Chemistry of complex materials
Materials chemistry is of tremendous industrial importance (catalysis, batteries, pollution control, functional surfaces, ...) and at the same time these systems are hugely complex. This complexity is the overarching e-science challenge that we want to conquer. To achieve this goal we develop methods and models for multiscale simulation and characterisation, using a mix of physics-based and data-driven methods.
Long-term project, period 2010–present
PI/contact: Kersti Hermansson and Peter Broqvist
University: Uppsala University
Condensed matter chemistry
Assembling a toolbox for atomistic simulations of clay: Validation of experiments and coarse-grained modelling
Period: 2022–2024
PI/contact: Marie Skepö
University: Lund University
New algorithm for neutron and X-ray scattering in concentrated samples
Period: 2022–2024
PI/contact: Mikael Lund
University: Lund University
Magnetic metals modelling
Period: 2023–2024
PI/contact: Erik van Loon
University: Lund University
High-resolution computational modelling of domain formation in metal halide perovskite nanocomponents: Targeting next-generation solar energy technology
Period: 2024–2025
PI/contact: Håkan Hallberg
University: Lund University
Computational design optimization of devices for wave propagation in lossy materials
Period: 2023–2024
PI/contact: Martin Berggren, Emaldeen Hassan
University: Umeå University
A GPU-based particle-in-cell framework for kinetic plasma modelling
Period: 2023–2024
PI/contact: Maria Hamrin
University: Umeå University