Related papers: Complex time, shredded propagator method for large…
BerkeleyGW is a massively parallel computational package for electron excited-state properties that is based on the many-body perturbation theory employing the ab initio GW and GW plus Bethe-Salpeter equation methodology. It can be used in…
Approximate inference techniques are the cornerstone of probabilistic methods based on Gaussian process priors. Despite this, most work approximately optimizes standard divergence measures such as the Kullback-Leibler (KL) divergence, which…
We present a new methodology, based on the WKB approximation and Fast Fourier Transforms, for the evaluation of wave propagation through inhomogeneous media. This method can accurately resolve fields containing caustics, while still…
The Gromov--Wasserstein (GW) distance and its fused extension (FGW) are powerful tools for comparing heterogeneous data. Their computation is, however, challenging since both distances are based on non-convex, quadratic optimal transport…
We present a fully ab initio approach based on many-body perturbation theory in the GW approximation, to compute the quasiparticle levels of large interface systems without significant covalent interactions between the different components…
A general linear gauge-invariant equation for dispersive gravitational waves (GWs) propagating in matter is derived. This equation describes, on the same footing, both the usual tensor modes and the gravitational modes strongly coupled with…
The speedup of heavy numerical tasks by quantum computing is now actively investigated in various fields including data analysis in physics and astronomy. In this paper, we propose a new quantum algorithm for matched filtering in…
In the Euclidean-space formulation of integral equations for the structure of quantum chromodynamics (QCD) bound states, the quark propagators with complex-valued momentum are densely sampled. We therefore propose an accurate and efficient…
This paper introduces a new Windowed Green Function (WGF) method for the numerical integral-equation solution of problems of electromagnetic scattering by obstacles in presence of dielectric or conducting half-planes. The WGF method, which…
A weak Galerkin (WG) method is introduced and numerically tested for the Helmholtz equation. This method is flexible by using discontinuous piecewise polynomials and retains the mass conservation property. At the same time, the WG finite…
The novel idea of weak Galerkin (WG) finite element methods is on the use of weak functions and their weak derivatives defined as distributions. Weak functions and weak derivatives can be approximated by polynomials with various degrees.…
The analytic continuation of the GW self-energy from the imaginary to the real energy axis is a central difficulty for approaches exploiting the favourable properties of response functions at imaginary frequencies. Within a scheme merging…
Gaussian wave packets (GWPs) are well suited as basis functions to describe the time evolution of arbitrary wave functions in systems with nonsingular smooth potentials. They are less so in atomic systems on account of the singular behavior…
Advanced ab initio materials simulations face growing challenges as increasing systems and phenomena complexity requires higher accuracy, driving up computational demands. Quantum many-body GW methods are state-of-the-art for treating…
We present the first empirical constraints on the polymer scale describing polymer quantized GWs propagating on a classical background. These constraints are determined from the polymer-induced deviation from the classically predicted…
We present a scalable implementation of the $GW$ approximation using Gaussian atomic orbitals to study the valence and core ionization spectroscopies of molecules. The implementation of the standard spectral decomposition approach to the…
We present the first numerical simulations of gravitational waves (GWs) passing through a potential well generated by a compact object in 3-D space, with a realistic source waveform derived from numerical relativity for the merger of two…
Gravitational waves (GWs) hold great potential for an unobscured view of protoneutron stars (PNSs) formed as a result of stellar collapses. While waiting for discovery, deepening the understanding of GW emission in theory is beneficial for…
Soon, the combination of electromagnetic and gravitational signals will open the door to a new era of gravitational-wave (GW) cosmology. It will allow us to test the propagation of tensor perturbations across cosmic time and study the…
The Gaussian process (GP) is a nonparametric prior distribution over functions indexed by time, space, or other high-dimensional index set. The GP is a flexible model yet its limitation is given by its very nature: it can only model…