New paper announcement

We are thrilled to announce the publication of our latest research on superconducting alloys! In this work, we introduce a new computational method, the Extended Generalized Quasichemical Approximation (EGQCA), which provides a powerful way to model the thermodynamics and predict physical properties of off-stoichiometric superconductors. This method allows us to calculate key superconducting properties, such as the critical temperature and electron-phonon coupling, with remarkable accuracy using only a few small supercells.

In the paper, we applied EGQCA to systems like Al-doped MgB₂, niobium alloys with titanium and vanadium, and even explored near-room-temperature superconductors such as Y_1-xCa_xH₆. Our results show excellent agreement with experimental data, confirming the robustness and precision of our method. EGQCA opens up new possibilities for the high-throughput design of superconducting materials in silico, accelerating the discovery of new materials.

This study represents a step forward in the predictive modeling of superconducting alloys and we hope it will inspire further experimental and theoretical exploration in this exciting field. Thank you to everyone who has supported this work!

You can read the full paper here: Mater. Today Phys. 48, 101547 (2024)

Feel free to reach out if you have any questions or want to discuss our findings!