Related papers: A deep learning approach to search for superconduc…
We develop a multi-step workflow for the discovery of conventional superconductors, starting with a Bardeen Cooper Schrieffer inspired pre-screening of 1736 materials with high Debye temperature and electronic density of states. Next, we…
Integrating deep learning with the search for new electron-phonon superconductors represents a burgeoning field of research, where the primary challenge lies in the computational intensity of calculating the electron-phonon spectral…
The density functional theory for superconductors developed in the preceding article [cond-mat/0408685] is applied to the calculation of superconducting properties of several elemental metals. In particular, we present results for the…
The combination of deep learning and ab initio materials calculations is emerging as a trending frontier of materials science research, with deep-learning density functional theory (DFT) electronic structure being particularly promising. In…
Superconductors have been among the most fascinating substances, as the fundamental concept of superconductivity as well as the correlation of critical temperature and superconductive materials have been the focus of extensive investigation…
Two-band electronic structures with a valence and a conduction band separated by a tunable energy gap and with pairing of electrons in different channels can be relevant to investigate the properties of two-dimensional multiband…
Flat electronic bands enhance electron-electron interactions and give rise to correlated states such as unconventional superconductivity or fractional topological phases. However, most current efforts towards flat-band materials discovery…
The development of two-dimensional materials has resulted in a diverse range of novel, high-quality compounds with increasing complexity. A key requirement for a comprehensive quantitative theory is the accurate determination of these…
The response of materials to dynamical, or shock, loading is important to planetary science, aerospace engineering, and energetic materials. Thermal-activated processes, including chemical reactions and phase transitions, are significantly…
ARPES experiments on iron based superconductors show that the differences between the measured and calculated electronic band structures look insignificant but can be crucial for understanding of the mechanism of high temperature…
The presence of defects strongly influences semiconductor behavior. However, predicting the electronic properties of defective materials at finite temperatures remains computationally expensive even with density functional theory due to the…
The electronic properties of two-dimensional (2D) materials depend sensitively on the underlying atomic arrangement down to the monolayer level. Here we present a novel strategy for the determination of the band gap and complex dielectric…
The systematic underestimation of band gaps is one of the most fundamental challenges in semilocal density functional theory (DFT). In addition to hindering the application of DFT to predicting electronic properties, the band gap problem is…
In cellular systems, the user equipment (UE) can request a change in the frequency band when its rate drops below a threshold on the current band. The UE is then instructed by the base station (BS) to measure the quality of candidate bands,…
Unsupervised ensemble learning emerged to address the challenge of combining multiple learners' predictions without access to ground truth labels or additional data. This paradigm is crucial in scenarios where evaluating individual…
We apply the generalized two-band model of superconductivity to calculate the electronic contribution to the specific heat, superconducting gaps and electron-boson coupling constants of the multi-band layered superconductors MgB2 and…
The main stages of development of the theory of superconductivity in systems with overlapping energy bands are formulated. The main references on the classical papers of the author of this theory, Prof. Moskalenko V.A., and his coworkers…
Predicting high temperature superconductors has long been a great challenge. A major difficulty is how to predict the transition temperature Tc of superconductors. Recently, progress in material informatics has led to a number of machine…
The electronic charge density plays a central role in determining the behavior of matter at the atomic scale, but its computational evaluation requires demanding electronic-structure calculations. We introduce an atom-centered,…
We investigate superconducting transport in the DC field induced Wannier-Stark flat bands in the presence of interactions. Flat bands offer the possibility of unconventional high temperature superconductivity, where the superfluid weight,…