Related papers: Projected Augmented Waves (PAW) motivated mixed ba…
Functionals of the meta-generalized gradient approximation (MGGA) are nowadays widely used in chemistry and solid-state physics for the simulation of electronic systems like molecules, solids, or surfaces. Due to their dependency on the…
A universal amplification scheme of ultra-small phase based on weak measurements is given and a weak measurements amplification based laser interferometer gravitational-wave observatory (WMA-LIGO) is suggested. The WMA-LIGO has potential to…
This work studies machine learning for electron density prediction, which is fundamental for understanding chemical systems and density functional theory (DFT) simulations. To this end, we introduce the Gaussian plane-wave neural operator…
In this work we demonstrate that accurate ground state wave functions may be constructed for polarons in a fully ab initio setting across the wide range of couplings associated with both the large and small polaron limits. We present a…
Spatiotemporal metasurfaces, characterized by dynamic variations in both space and time, enable functionalities unattainable with passive metasurfaces. In this study, we propose a novel concept of parametric metasurfaces capable of…
Microresonator-based degenerate optical parametric oscillation (DOPO) has recently been explored as a compelling platform for all-optical computing and quantum information applications, such as truly random number generation and the…
The research feld of magnonics proposes a low-energy wave-logic computation technology based on spin waves to complement the established CMOS technology and provide a basis for emerging unconventional computation architectures. However,…
Localized orbitals are important for modeling and interpreting complicated electronic structures of atoms and molecules in a chemically meaningful way. Here, we present the parameter-free procedure for transforming delocalized molecular…
In this paper, we develop a computational multiscale to solve the parabolic wave approximation with heterogeneous and variable media. Parabolic wave approximation is a technique to approximate the full wave equation. One benefit of the…
This work focuses on the study of partial differential equation (PDE) based basis function for Discontinuous Galerkin methods to solve numerically wave-related boundary value problems with variable coefficients. To tackle problems with…
Model-free and reinforcement learning-based adaptive filtering methods are gaining traction for denoising in dynamic, non-stationary environments such as wireless signal channels. Traditional filters like LMS, RLS, Wiener, and Kalman are…
We present an implementation of the linear density response function within the projector-augmented wave (PAW) method with applications to the linear optical and dielectric properties of both solids, surfaces, and interfaces. The response…
We introduce a systematically improvable family of variational wave functions for the simulation of strongly correlated fermionic systems. This family consists of Slater determinants in an augmented Hilbert space involving "hidden"…
1-D Eulerian Vlasov-Maxwell simulations are presented which show kinetic enhancement of stimulated Raman backscatter (SRBS) due to electron trapping in regimes of heavy linear Landau damping. The conventional Raman Langmuir wave is…
We propose a new acceleration scheme that combines shock wave acceleration (SWA) and light pressure acceleration (LPA). When a thin foil driven by light pressure of an ultra-intense laser pulse propagates in underdense background plasma, it…
The complex absorbing potential (CAP) formalism has been successfully employed in various wavefunction-based methods to study electronic resonance states. In contrast, Green's function-based methods are widely used to compute ionization…
While pseudospectral (PS) methods can feature very high accuracy, they tend to be severely limited in terms of geometric flexibility. Application of global radial basis functions overcomes this, however at the expense of problematic…
Quantifying materials' dynamical responses to external electromagnetic fields is central to understanding their physical properties. Here we present an implementation of the density functional perturbation theory for the computation of…
We present a semiempirical pseudopotential method based on screened atomic pseudopotentials and derived from \textit{ab initio} calculations. This approach is motivated by the demand for pseudopotentials able to address nanostructures,…
In this work we analyze the variational problem emerging from the Gutzwiller approach to strongly correlated systems. This problem comprises the two main steps: evaluation and minimization of the ground state energy $W$ for the postulated…