Computational design of novel functional materialsSupervisor: doc. Mgr. Mariana Derzsi, PhD.
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|Project description:||The project focuses on broadening the vistas of the technologically important systems with transition metals and lanthanides by predicting and targeted design of new as-yet unknown phases using theoretical approaches based on atomic-scale quantum-mechanical modelling, evolutionary algorithms and direct phonon method. The studied systems will encompass new electronic materials for spintronics, multiferroics and superconductors. This study will allow for designing of the most effective and technologically attractive structural forms of the newly predicted phases with metallic elements particularly tuned for the functionality in question in accessible pressure and temperature ranges|
Kind of project:
Advanced Technologies Research Institute (MTF)
|Project start date :||01. 01. 2019|
|Project close date:||31. 12. 2022|
|Number of workers in the project:|
Number of official workers in the project:
The following table shows the researcher workers who have been assigned official roles in a project.
|doc. Mgr. Mariana Derzsi, PhD.||zodpovedný riešiteľ|
|RNDr. Martin Šulka, PhD.||spoluriešiteľ|