Theory and Modelling

Data center at National Supercomputer Centre, Campus Valla, Linköping University. Thor Balkhed

Pushing science forward through mathematical modelling and computer simulations

Though the disciplines at Theory and Modelling represent broad scientific fields they all rely on a common core of mathematical modelling, numerical methods, and computer simulations. The computational problems usually deal with complex systems that require a wide range of scientific knowledge: problem formulation, mathematical modelling, numerical analysis, programming for parallel execution, hardware solutions, tools for analysis and visualization etc.

The need for research and education in the broad field of theory and modelling is evidently great. The reason is the profound and rapid development of computers, efficient algorithms, software, and immense databases that we experience today. It offers new and rich opportunities to solve many important problems in realistic ways.

Replaces expensive and time consuming experiments

In our work, we use mathematical modelling, numerical methods and simulations. This may supplement and even replace expensive and/or time consuming experiments and product developments with realistic simulations based on mathematical models, rapid access to large databases. It can even substitute inaccessible experiments as in geophysics and astrophysics and offer opportunities to solve many important problems in realistic ways.

Strategic collaborations

The Theory and Modelling division has the access to the computational facilities and expertise at the National Supercomputer Centre (NSC). In particular, this division and the NSC are actively involved in Swedish e-Science Research Centre (SeRC). We are actively participating in the Interdisciplinary Materials Science Laboratory for Advanced Functional Materials (AFM). Both, SeRC and AFM are supported by the Swedish Government. We are involved in Linnaeus Strong Research Environment supported by the Swedish Research Council, in Strategic Research Centres “Multifilms”, “Center of Organic Electronics (COE)”, and FUNCASE supported by the Swedish Foundation for Strategic Research. We are part of FORMAS Strong Research Environment “Centre of Excellence for Farm Animal Welfare Research”. We coordinate the project “Strong Field Physics and New States of Matter” supported by Knut and Alice Wallenbergs Foundation.

We carry out our research activity in close contact with experimental groups and educational programmes in engineering and science.

PhD studies in Theory and Modelling

Doctoral studies in Theory and Modeling in Science has a broad scientific profile and share a common core of mathematical modeling, numerical methods and computer simulation. The research can be mainly divided into four main parts, namely, modeling, methodology development, simulation and analysis.Read more about the PhD studies in Theory and Modelling in Science.

Steering group

News

International collaboration lays the foundation for AI for materials

AI is accelerating the development of new materials. Large-scale use and exchange of data on materials is facilitated by a broad international standard. A major international collaboration now presents an extended version of the OPTIMADE standard.

How to shift gears in a molecular motor

Scientists have long strived to develop artificial molecular motors that can convert energy into directed motion. Researchers at LiU have now presented a solution to a challenging problem: a “molecular gear”.

Severe MS predicted using machine learning

A combination of only 11 proteins can predict long-term disability outcomes in multiple sclerosis (MS) for different individuals. The proteins could be used to tailor treatments to the individual based on the expected severity of the disease.

Our research

International collaboration lays the foundation for AI for materials

Power plant, organic electronics, a red rose.

Laboratory of Organic Electronics

At Laboratory of Organic Electronics, LOE, we explore electronic and optical properties of organic materials and organic-inorganic hybrid systems.

LiU Theorists provide computational insight into the properties of novel ultra-incompressible, hard and superconducting W-N materials

There is an enormously growing demand for materials capable of withstanding extreme conditions, in particular advanced hard and highly electrically conducting materials.