Related papers: Accelerating superconductor discovery through temp…
The quest to identify new superconducting materials with enhanced properties is hindered by the prohibitive cost of computing electron-phonon spectral functions, severely limiting the materials space that can be explored. Here, we introduce…
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…
The Eliashberg theory of superconductivity accounts for the fundamental physics of conventional electron-phonon superconductors, including the retardation of the interaction and the effect of the Coulomb pseudopotential, to predict the…
Predicting the critical temperature $T_c$ of new superconductors is a notoriously difficult task, even for electron-phonon paired superconductors for which the theory is relatively well understood. Early attempts by McMillan and Allen and…
We present a workflow that iteratively combines \textit{ab-initio} calculations with a machine-learning (ML) guided search for superconducting compounds with both dynamical stability and instability from imaginary phonon modes, the latter…
Ab initio based accurate simulation of phonon-assisted optical spectra of semiconductors at finite temperatures remains a formidable challenge, as it requires large supercells for phonon sampling and computationally expensive high-accuracy…
First-principles computations are the driving force behind numerous discoveries of hydride-based superconductors, mostly at high pressures, during the last decade. Machine-learning (ML) approaches can further accelerate the future…
Superconducting materials are of significant technological relevance for a broad range of applications, and intense research efforts aim at enhancing the critical temperature $T_{c}$. Intriguingly, while numerous studies have explored…
To unravel pairing mechanism of a superconductor from limited, indirect experimental data is always a difficult task. It is common but sometimes dubious to explain by a theoretical model with some tuning parameters. In this work, we propose…
Purpose: Echo modulation curve (EMC) modeling can provide accurate and reproducible quantification of T2 relaxation times. The standard EMC-T2 mapping framework, however, requires sufficient echoes and cumbersome pixel-wise…
In stress field analysis, the finite element analysis is a crucial approach, in which the mesh-density has a significant impact on the results. High mesh density usually contributes authentic to simulation results but costs more computing…
The last two decades have witnessed a tremendous number of computational predictions of hydride-based (phonon-mediated) superconductors, mostly at extremely high pressures, i.e., hundreds of GPa. These discoveries were heavily driven by…
We present a machine learning (ML) method for efficient computation of vibrational thermal expectation values of physical properties from first principles. Our approach is based on the non-perturbative frozen phonon formulation in which…
Metasurfaces have provided a novel and promising platform for the realization of compact and large-scale optical devices. The conventional metasurface design approach assumes periodic boundary conditions for each element, which is…
We perform a large scale study of conventional superconducting materials using a machine-learning accelerated high-throughput workflow. We start by creating a comprehensive dataset of around 7000 electron-phonon calculations performed with…
Energy band theory is a foundational framework in condensed matter physics. In this work, we employ a deep learning method, BNAS, to find a direct correlation between electronic band structure and superconducting transition temperature. Our…
Exploration of new superconductors still relies on the experience and intuition of experts and is largely a process of experimental trial and error. In one study, only 3% of the candidate materials showed superconductivity. Here, we report…
Predicting the elevations of nonlinear wave fields behind floating breakwaters (FBs) is crucial for optimizing coastal engineering structures, enhancing safety, and improving design efficiency. Existing deep learning approaches exhibit…
Quantum materials represent one of the most promising frontiers in the quest for faster, lightweight, energy efficient technologies. However, their inherent complexity and rich phase landscape make them challenging to understand or…
Deep learning has shown the great power in the field of fault detection. However, for incipient faults with tiny amplitude, the detection performance of the current deep learning networks (DLNs) is not satisfactory. Even if prior…