Anisotropic Superconductivity, A Simple Computational Approach Suitable for High‐Throughput Simulations

ABSTRACT We propose and test a new approach for computing the superconducting properties of materials, which incorporates momentum anisotropy at a minimal computational cost. This method is designed to be integrated into high‐throughput workflows, where materials are systematically investigated by computing their electron–phonon coupling using standard density functional theory. Our approach involves an initial screening of the coupling matrix, followed by the construction of an effective multiband model that captures the essential anisotropic features of the system. Tests on a material set show that the method provides accurate estimates of the critical temperature () of anisotropic superconductors, with rapid convergence as the number of band divisions increases. Beyond predicting , our approach can also be used to estimate the gap distribution function, enabling the computation of various experimental observables of superconductors, such as tunneling characteristics and the temperature‐dependent specific heat.