相关论文: Swift $GW$ beyond $10,000$ electrons using fractur…

We develop a formalism to calculate the quasi-particle energy within the GW many-body perturbation correction to the density functional theory (DFT). The occupied and virtual orbitals of the Kohn-Sham (KS) Hamiltonian are replaced by…

Structured data, such as graphs, is vital in machine learning due to its capacity to capture complex relationships and interactions. In recent years, the Fused Gromov-Wasserstein (FGW) distance has attracted growing interest because it…

In this paper, we develop a highly parallel and derivative-free fractional neural walk-on-spheres method (FNWoS) for solving high-dimensional fractional Poisson equations on irregular domains. We first propose a simplified fractional…

We probe ultra-low-frequency gravitational waves (GWs) with statistics of spin-down rates of milli-second pulsars (MSPs) by a method proposed in our prevous work (Yonemaru et al. 2016). The considered frequency range is $10^{-12}{\rm Hz}…

Simulating Markovian open quantum systems in the semiclassical regime poses a grand challenge for computational physics, as the highly oscillatory nature of the dynamics imposes prohibitive resolution requirements on traditional grid-based…

We develop two variance-reduced fast operator splitting methods to approximate solutions of a class of generalized equations, covering fundamental problems such as \rvs{minimization}, minimax problems, and variational inequalities as…

Quasiparticle (QP) excitations are extremely important for understanding and predicting charge transfer and transport in molecules, nanostructures and extended systems. Since density functional theory (DFT) within the Kohn-Sham (KS)…

Matter in compact stars is dense enough that transient events within the star could have sufficiently high energies to produce detectable gravitational waves (GWs). These GWs could be used to constrain the equation of state (EoS) for matter…

In this article, we introduce the frozen Gaussian sampling (FGS) algorithm to solve the scalar wave equation in the high-frequency regime. The FGS algorithm is a Monte Carlo sampling strategy based on the frozen Gaussian approximation,…

Smoothed functional (SF) schemes for gradient estimation are known to be efficient in stochastic optimization algorithms, specially when the objective is to improve the performance of a stochastic system. However, the performance of these…

Pulsar timing arrays (PTAs) have made tremendous progress and are now showing strong evidence for the gravitational-wave background (GWB). Further probing the origin and characteristics of the GWB will require more generalized analysis…

The $GW$ method is widely used for calculating the electronic band structure of materials. The high computational cost of $GW$ algorithms prohibits their application to many systems of interest. We present a periodic, low-scaling and highly…

$GW$ is an accurate method for computing electron addition and removal energies of molecules and solids. In a conventional $GW$ implementation, however, its computational cost is $O(N^4)$ in the system size $N$, which prohibits its…

Low frequency gravitational waves (GWs) are keys to understanding cosmological inflation and super massive blackhole (SMBH) formation via blackhole mergers, while it is difficult to identify the low frequency GWs with ground-based GW…

Stochastic backgrounds of gravitational waves (GWs) from the pre-BBN era offer a unique opportunity to probe the universe beyond what has already been achieved with the Cosmic Microwave Background (CMB). If the source is short in duration,…

We have developed a new, fast method of estimating the orbital properties of a binary or triple system using as few as two epochs of astrometric data. FOBOS (Few Observation Binary Orbit Solver) uses a flat prior brute force Monte Carlo…

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…

New jet observables are defined which characterize both fractal and scale-dependent contributions to the distribution of hadrons in a jet. These infrared safe observables, named Extended Fractal Observables (EFOs), have been applied to…

Stochastic density functional theory (sDFT) is becoming a valuable tool for studying ground state properties of extended materials. The computational complexity of describing the Kohn-Sham orbitals is replaced by introducing a set of random…

A recent proposal describes space based gravitational wave (GW) detection with optical lattice atomic clocks [Kolkowitz et. al., Phys. Rev. D 94, 124043 (2016)] [1]. Based on their setup, we propose a new measurement method for…