CONFERENCEPrecise first principles methods for modelling quantum materials
Project goals
Quantum materials attract attention of the research and development community for their unusual properties and show promise for practical applications to address needs of society and sustainability challenges. These unusual properties frequently stem from the reduced dimensionality and an interplay between the spin-orbit coupling (SOC) and electronic correlations. Such a combination leads to new challenges for first-principles methods, as a realistic description of such materials requires a demanding combination of features: non-local exchange and SOC. As a result, the existing electronic-structure tools show insufficient reproducibility, and reference methods are urgently needed. The objective of this project is to develop reliable and predictive all-electron tools for the emerging class of quantum materials where relativistic effects, particularly SOC, and play an important role.
People
- Andris Guļāns (project leader)
- Jānis Užulis (doctoral student)
- Ernests Lazdāns (student assistant)
Completed activities
- A poster presentation at the Psi-k 2025 conference in Lausanne, Switzerland (August 25–28, 2025).
Project duration
The project runs from January 1, 2025 until December 31, 2027.
Funding source
Precise first principles methods for modelling quantum materials is funded by the Latvian Council of Science under the grant agreement No. lzp-2024/1-0202.
