Related papers: IsoME: Streamlining High-Precision Eliashberg Calc…
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…
We present a method to considerably improve the numerical performance for solving Eliashberg-type coupled equations on the imaginary axis. Instead of the standard practice of introducing a hard numerical cutoff for treating the infinite…
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…
QmeQ is an open-source Python package for numerical modeling of transport through quantum dot devices with strong electron-electron interactions using various approximate master equation approaches. The package provides a framework for…
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…
Hydrogen-rich compounds are extensively explored as candidates for a high-temperature superconductors. Currently, the measured critical temperature of $203$ K in hydrogen sulfide (H$_3$S) is among the highest over all-known superconductors.…
We have built an integrated computational platform for material properties at extreme conditions, ProME (Professional Materials at Extremes) v1.0, which enables integrated calculations for multicomponent alloys, covering high temperatures…
We extend the two leading methods for the \emph{ab initio} computational descrip tion of phonon-mediated superconductors, namely Eliashberg theory and density fu nctional theory for superconductors (SCDFT), to include plasmonic effects.…
Experimentally relevant signatures of superconductivity require access to real-frequency quantities, such as the spectral functions, optical response, and transport properties, yet Migdal-Eliashberg calculations are commonly performed on…
ipie is a Python-based auxiliary-field quantum Monte Carlo (AFQMC) package that has undergone substantial improvements since its initial release [J. Chem. Theory Comput., 2023, 19(1): 109-121]. This paper outlines the improved modularity…
We report the development of a python-based auxiliary-field quantum Monte Carlo (AFQMC) program, ipie, with preliminary timing benchmarks and new AFQMC results on the isomerization of [Cu$_2$O$_2$$]^{2+}$. We demonstrate how implementations…
The cuprates and iron-based high-temperature superconductors share many common features: layered strongly anisotropic crystal structure, strong electronic correlations, interplay between different types of electronic ordering, the intrinsic…
The discovery of record - breaking values of superconducting transition temperature $T_c$ in quite a number of hydrides under high pressure was an impressive demonstration of capabilities of electron - phonon mechanism of Cooper pairing.…
Using the self-consistent approximation we calculate conductivity in an anisotropic heterogeneous media with superconducting inclusions and compare the results with those obtained previously using the Maxwell approximation and with…
Room temperature superconductivity remains elusive, and hydrogen-base compounds despite remarkable transition temperatures(Tc) typically require extreme pressures that hinder application. To accelerate discovery under moderate pressures, an…
Superconducting properties of hypothetical simple hexagonal CaB2 are studied using the fully anisotropic Eliashberg formalism based on electronic and phononic structures and electron-phonon interactions which are obtained from ab initio…
We present a novel formulation for the dynamics of geometrically exact Timoshenko beams and beam structures made of viscoelastic material featuring complex, arbitrarily curved initial geometries. An $\textrm{SO}(3)$-consistent and…
At present, the task of searching for compounds with a high superconducting transition temperature is a very relevant scientific direction. Usually, the calculation of is carried out by numerically solving the system of Eliashberg…
A central challenge in nanoscale superconductivity is to understand and exploit the combined action of quantum confinement and proximity effects in experimentally realistic metallic heterostructures. We theoretically investigate…
Warm dense matter (WDM) is an active field of research, with applications ranging from astrophysics to inertial confinement fusion. Ionization degree and continuum lowering are important quantities to understand how materials behave under…