Related papers: Data-driven Low-rank Approximation for Electron-ho…
A novel hybrid data-driven approach is developed for forecasting power system parameters with the goal of increasing the efficiency of short-term forecasting studies for non-stationary time-series. The proposed approach is based on mode…
We present a Kernel Ridge Regression (KRR) based supervised learning method combined with Genetic Algorithms (GAs) for the calculation of quasiparticle energies within Many-Body Green's Functions Theory. These energies representing…
We introduce a novel, model-independent method for the efficient simulation of low-entropy systems, whose dynamics can be accurately described with a limited number of states. Our method leverages the time-dependent variational principle to…
We propose a framework for discrete scientific data compression based on the tensor-train (TT) decomposition. Our approach is tailored to handle unstructured output data from discrete element method (DEM) simulations, demonstrating its…
This paper is concerned with the construction, analysis and realization of a numerical method to approximate the solution of high dimensional elliptic partial differential equations. We propose a new combination of an Adaptive Wavelet…
Molecule-metal interfaces have a broad range of applications in nanoscale materials science. Accurate characterization of their electronic structures from first-principles is key in understanding material and device properties. The GW…
A simple approximate expression in real and reciprocal spaces is given for the static exchange-correlation kernel of a uniform electron gas interacting with the long-range part only of the Coulomb interaction. This expression interpolates…
The reproducing kernel Hilbert space (RKHS) embedding method is a recently introduced estimation approach that seeks to identify the unknown or uncertain function in the governing equations of a nonlinear set of ordinary differential…
The calculation of dynamical properties for matter under extreme conditions is a challenging task. The popular Kubo-Greenwood model exploits elements from equilibrium density functional theory (DFT) that allow a detailed treatment of…
This research demonstrates analytical time-dependent non-equilibrium green function (TD-NEGF) algorithms to investigate dynamical functionalities of quantum devices, especially for photon-assisted transports. Together with the lumped…
Neural networks have achieved tremendous success in a large variety of applications. However, their memory footprint and computational demand can render them impractical in application settings with limited hardware or energy resources. In…
Analytical calculations based on a Landau Level (LL) picture are reported for a many-electron system moving in an interface (with a finite-width Quantum Well (QW)) and in the presence of an external perpendicular magnetic field. They lead…
We propose an algorithm based on modulable hidden variables and adaptive step lengths, inspired by heuristic statistical physics and the replica method, to study the effect of mutual correlations and the emergent Wigner-Dyson distribution…
Quantum-mechanical (QM) simulations, thanks to their predictive power, can provide significant insights into the nature and dynamics of defects such as vacancies, dislocations and grain boundaries. These considerations are essential in the…
Reduced fluid models for collisionless plasmas including electron inertia and finite Larmor radius corrections are derived for scales ranging from the ion to the electron gyroradii. Based either on pressure balance or on the…
The prediction of nuclear observables beyond the finite model spaces that are accessible through modern ab initio methods, such as the no-core shell model, pose a challenging task in nuclear structure theory. It requires reliable tools for…
An enhanced static approximation for the electron self energy operator is proposed for efficient calculation of quasiparticle energies. Analysis of the static COHSEX approximation originally proposed by Hedin shows that most of the error…
Using the finite-element discrete variable representation of the nonequilibrium Green's function (NEGF) we extend previous work [K.~Balzer et al., Phys. Rev. A \textbf{81}, 022510 (2010)] to nonequilibrium situations and compute---from the…
To clarify a key role of orbital degrees of freedom in the response of the many-body electron state of correlated electrons to an external field, we investigate the real-time dynamics in an $e_{\rm g}$-orbital Hubbard model under applied…
We compute the canonical (brick-wall) entropy of Hawking radiation in a in a quantum black hole model whose strong-field exterior is modeled phenomenologically, to first order in a small quadrupole parameter, by the static q-metric, which…