Related papers: IsoME: Streamlining High-Precision Eliashberg Calc…
In this paper, we calculate the superconducting critical temperature as a function of pressure, Tc(P ), using a method based on the functional derivative of the critical temperature with the Eliashberg function, dTc/dA2F. The coulomb…
Identifying novel functional materials with desired key properties is an important part of bridging the gap between fundamental research and technological advancement. In this context, high-throughput calculations combined with data-mining…
Topological superconductors have garnered significant attention due to their potential for realizing topological quantum computation. However, a universal computational tool based on first-principles calculations for predicting topological…
Since precisely controlling dissipation in realistic environments is challenging, digital simulation of the Lindblad master equation (LME) is of great significance for understanding nonequilibrium dynamics in open quantum systems. However,…
More than a century after discovery, the theory of conventional superconductivity remains incomplete. While the importance of electron-phonon coupling is understood, a controlled first-principles treatment of Coulomb interaction is lacking.…
The evaluation of the electron-ion bremsstrahlung cross section exact to all orders in the Coulomb potential is computationally expensive due to the appearance of hypergeometric functions. Therefore tabulations are widely used. Here, we…
Modelling random dynamical systems in continuous time, diffusion processes are a powerful tool in many areas of science. Model parameters can be estimated from time-discretely observed processes using Markov chain Monte Carlo (MCMC) methods…
The SLUSCHI (Solid and Liquid in Ultra Small Coexistence with Hovering Interfaces) automated package, with interface to the first-principles code VASP (Vienna Ab initio Simulation Package), was developed by us for efficiently determining…
Decades of exponential scaling in high performance computing (HPC) efficiency is coming to an end. Transistor based logic in complementary metal-oxide semiconductor (CMOS) technology is approaching physical limits beyond which further…
The properties of the superconducting state in calcium under the pressure at 120 GPa were analyzed. By using the imaginary axis Eliashberg equations it has been shown, that the Coulomb pseudopotential reaches the high value equal to 0.215.…
We present results of first principle numerical simulations of the Bose one-component plasma, i.e., a Bose gas with pairwise Coulomb interactions among particles and a uniform neutralizing background. We compute the superconducting…
In this communication the advantages and drawbacks of the isogeometric analysis (IGA) are reviewed in the context of electromagnetic simulations. IGA extends the set of polynomial basis functions, commonly employed by the classical Finite…
Cosmological hydrodynamic simulations can accurately predict the properties of the intergalactic medium (IGM), but only under the condition of retaining high spatial resolution necessary to resolve density fluctuations in the IGM. This…
Understanding the electrical and thermal transport properties of materials is critical to the design of electronics, sensors and energy conversion devices. Computational modeling can accurately predict materials properties but, in order to…
The high-transition-temperature (high-Tc) superconductivity discovered recently in iron pnictides is analyzed within a perturbation theory. Specifically, the probable pairing symmetry, the doping dependence of the transition temperature and…
The standard Eliashberg - McMillan theory of superconductivity is essentially based on the adiabatic approximation. Here we present some simple estimates of electron - phonon interaction within Eliashberg - McMillan approach in non -…
Transition metal dichalcogenides exhibit multiple polymorphs that enable the exploration of diverse quantum states, including valley-selective spin polarization, the valley Hall effect, Ising superconductivity, and nontrivial topology.…
In recent years, persistent homology has become an attractive method for data analysis. It captures topological features, such as connected components, holes, and voids from point cloud data and summarizes the way in which these features…
The superconductivity in the Bi-II phase of elemental Bismuth (transition temperature $T_{\rm c}\simeq3.92$ K at pressure $p\simeq 2.80$ GPa) was studied experimentally by means of the muon-spin rotation as well as theoretically by using…
Achieving a percentage-level precision measurement of the Coherent Elastic Neutrino Nucleus Scattering (CE{\nu}NS) spectrum requires a robust data processing pipeline which can be characterised with great precision. To fulfil this goal we…