FWF - SCalloys - Computational Modeling of Real-World Alloy Superconductors

The project develops a computationally efficient framework for realistic simulations of disordered superconducting alloys. Its goal is the microscopic modeling of superconductivity under real-world conditions, explicitly accounting for chemical disorder, defects, and atomic-scale complexity. The approach combines advanced ab initio and scalable numerical methods to predict key properties such as critical temperature and magnetic response. Applications focus on transition-metal and high-entropy alloys to identify structure–property relationships and enable the rational design of novel superconducting materials.