Related papers: IsoME: Streamlining High-Precision Eliashberg Calc…
Analog Quantum Computers are promising tools for improving performance on applications such as modeling behavior of quantum materials, providing fast heuristic solutions to optimization problems, and simulating quantum systems. Due to the…
This paper enhances the Diffuse Interface Method (DIM) for simulating compressible multiphase flows across all Mach numbers by addressing the accuracy challenges posed at low Mach regimes. A correction to the Riemann solver is introduced,…
Automated Machine Learning (AutoML) is used more than ever before to support users in determining efficient hyperparameters, neural architectures, or even full machine learning pipelines. However, users tend to mistrust the optimization…
The Simmons model is a well-known and widely used model for the elastic tunneling current of a metallic tunnel junction, and fitting it to electrical measurements can be used to estimate thicknesses and heights of the tunnel barriers. We…
This paper presents a unified approach to the modeling and computation of the Kubo conductivity of incommensurate bilayer heterostructures at finite temperature. Firstly, we derive an expression for the large-body limit of Kubo-Greenwood…
The present paper determines the thermodynamic properties of the superconducting state in the ${\rm H_{2}S}$ compound. The values of the pressure from $130$ GPa to $180$ GPa were taken into consideration. The calculations were performed in…
In their article, Zhang et al. [Phys. Rev. B 86, 024516 (2012)] present a remarkable result for A$_x$(S)$_y$TiNCl compounds ($\alpha$-phase TiNCl partially intercalated with alkali A and optionally co-intercalated molecular species S),…
Designing new, technologically relevant superconductors has long been at the forefront of solid-state physics and chemistry research. However, developing efficient approaches for modeling the thermodynamics of superconducting alloys while…
Two-phase heterogeneous materials arising in a variety of natural and synthetic situations exhibit a wide-variety of microstructures and thus display a broad-spectrum effective physical properties. Given that such properties of disordered…
A modified version of the interlayer tunneling model, including interlayer single particle hopping (ISPH), is considered as a phenomenological model to describe cuprate superconductors. The effective ISPH (t_\perp^{eff}) is taken along with…
We present a high-throughput computational screening for fast lithium-ion conductors to identify promising materials for application in all solid-state electrolytes. Starting from more than 30,000 Li-containing experimental structures…
This work proposes Isogeometric Analysis as an alternative to classical finite elements for simulating electric machines. Through the spline-based Isogeometric discretization it is possible to parametrize the circular arcs exactly, thereby…
Since the dramatic interface enhancement of superconducting transition temperature (Tc) was reported in one unit-cell FeSe film grown on SrTiO3 substrate (1-UC FeSe/STO) by molecular beam epitaxy (MBE), related research on this system has…
The Coulomb log (log {\Lambda}) approximation is widely used to approximate electron transport coefficients in dense plasmas. It is a classical approximation to the momentum transport cross section. The accuracy of this approximation for…
The Wolff dynamics is a non-local Markov chain widely used for simulating the Ising model due to its effectiveness in reducing critical slowing down compared to the Glauber dynamics. Despite extensive algorithmic and numerical studies, a…
In this paper, we propose a novel technique to accelerate Ising machines hyperparameter tuning. Firstly, we define Ising machine performance and explain the goal of hyperparameter tuning in regard to this performance definition. Secondly,…
Atomic transport underpins the performance of materials in technologies such as energy storage and electronics, yet its simulation remains computationally demanding. In particular, modeling ionic diffusion in solid-state electrolytes (SSEs)…
Recently, superconductivity was discovered at very low densities in slightly misaligned graphene multilayers. Surprisingly, despite extremely low electronic density (about $10^{-4}$ electrons per unit cell), these systems realize…
Hypothesis A prototypical modelling approach is required for a full characterisation of the static and equilibrium dynamical properties of confined ionic liquids (ILs), in order to gain predictive power of properties that are difficult to…
Reachability analysis is a fundamental problem for safety verification and falsification of Cyber-Physical Systems (CPS) whose dynamics follow physical laws usually represented as differential equations. In the last two decades, numerous…