The Material Theory and Quantum Transport group at NMBU studies electronic structure, charge and heat transport, and thermophysical properties of materials. We use first-principles calculations, transport theory, molecular dynamics, and data-driven methods, with particular emphasis on thermoelectric and quantum materials.

About the Material Theory and Quantum transport group

Current research activities include thermoelectric materials and cooling, theoretical spectroscopy, and the modelling of metal–organic frameworks for gas adsorption and storage. Several of these activities are carried out in collaboration with experimental partners.

The group also develops methods for electronic band structures, carrier transport, and van der Waals interactions within density functional theory. Emerging work extends these approaches toward semiconductor heterostructures, low-dimensional systems, and quantum transport.

• Masters and PhD theses

  Completed PhD theses

  • Grimenes, Ø.
  • Sødahl, Elin D.
  • Seyedraofi, Seyedmojtaba (2024):
  • Tranås, Rasmus Andre (2023): Identifying Materials with Low Lattice Thermal Conductivity Using Machine Learning and Computational Modeling

  Completed masters theses

  • Helge Helø Klemetsdal (2023): Machine learning force field simulations of the hybrid organic-inorganic perovskite system.
  • Dey, Aditya (2023): Prediction of Melting Temperature of Organic Molecules using Machine Learning.
  • Steensen, Rakel (2023): First-principles calculation of germanium telluride at the phase transition.
  • Grimenes, Øven Andreas (2021): Screening of thermoelectric performance of half-Heusler materials and their alloys from first principles.

• Completed Projects

  • FOX – New ferroelectric organic molecular crystals through computer design and experimental realization (RCN FRINATEK, 2020-2024)
  • Plastic additives: Integrity and cohesion (BASF, 2022-2026)
  • Allotherm - High-throughput alloy design of superior thermoelectric materials (RCN FRINATEK, 2021-2025. Coordinated by SINTEF)
  • MORTY – Momentum resolved electron band structures from electron energy loss spectroscopy. (RCN FRINATEK, 2021-2026. Coordinated by SMN, UiO)

Research areas

• Theoretical spectroscopy

  • MORTY – Momentum resolved electron band structures from electron energy loss spectroscopy

  Contact

• Thermoelectricity

  Contact:

Contact

• Group members

  PhD candidates

  Group alumni

  

  Rasmus Andre Tranås

  Former PhD student

  Elin D. Søhdal

  Former PhD student

• Contact us

  Prospective master student?

  We offer master projects for students in physics, mechanical engineering, and data science with relevant course background. Get in touch early!

  Topics for potential master theses:

  • Quantum mechanical simulations and code implementation.
    – Required course background: Coding experience in numpy/scipy.

  Seeking PhD or postdoc opportunities?

  All open positions are announced on the NMBU web page, Jobbnorge.no EURAXESS.

  NMBU offers yearly 'Postdoc Masterclass' for crafting supporting applications to the Marie Skłodowska-Curie actions.