Title of the position: postdoctoral fellow in development and application of a new interface for quantum-mechanical solid-state modelling
Project & Job description: The postdoc will work on development of a high-performance Phase Diagram Calculator for crystalline matter. He/she will subsequently apply the new tool to study structural and dynamical behaviour of novel magnetic inorganic compounds with transition metals in pursuit for new materials for electronics and spintronics. This Calculator with be a computational interface that will combine already existing programs for quantum-mechanical calculations of electronic structure and lattice thermodynamics and its role will be to calculate thermodynamic stability of a given chemical system in function of pressure and temperature. The new platform will enable highly effective mapping of new inorganic compounds and alloys as well as their phase transitions over a wide range of temperatures and pressures. This project will be realized in cooperation with other group members and international collaborators involving both theoretical and experimental researchers. Short scientific stays at cooperating international institutions may apply.
Contact: dr. hab. Mariana Derzsi (mariana.derzsi@stuba.sk)