相关论文: Dispersion without many-body density distortion: A…

The dispersion measure (DM) of fast radio bursts (FRBs) provides a unique way to probe ionised baryons in the intergalactic medium (IGM). Cosmological models with different parameters lead to different DM-redshift ($\mathrm{DM}-z$)…

As is well known, the ground-state symmetry group of the water dimer switches from its equilibrium $C_{s}$-character to $C_{2h}$-character as the distance between the two oxygen atoms of the dimer decreases below $R_{\rm O-O}\sim 2.5$…

The validation, verification, and uncertainty quantification of computationally expensive theoretical models of quantum many-body systems require the construction of fast and accurate emulators. In this work, we develop emulators for…

A multiscale numerical solver called the seamless-domain method (SDM) is used in linear heat conduction analysis of nonperiodic simulated fields. The practical feasibility of the SDM has been verified for use with periodic fields but has…

Density matrix embedding theory (DMET) [Phys. Rev. Lett.2012, 109, 186404] has been demonstrated as an efficient wave-function-based embedding method to treat extended systems. Despite its success in many quantum lattice models, the…

Complete active space self-consistent field (CASSCF) computations can be realized at polynomial cost via the variational optimization of the active-space two-electron reduced-density matrix (2-RDM). Like conventional approaches to CASSCF,…

We present an implementation of the coherent dedispersion algorithm capable of dedispersing high-time-resolution radio observations to many different dispersion measures (DMs). This approach allows the removal of the dispersive effects of…

Dark matter (DM) self-interactions alter the matter distribution on galactic scales and alleviate tensions with observations. A feature of the self-interaction cross section is its angular dependence, influencing offsets between galaxies…

This paper presents compact, symmetric, and high-order finite difference methods (FDMs) for the variable Poisson equation on a $d$-dimensional hypercube. Our scheme produces a symmetric linear system: an important property that does not…

In this paper, we present an improved framework of the spectral-based Discrete Dislocation Dynamics (DDD) approach introduced in [1,2], that establishes a direct connection with the continuum Field Dislocation Mechanics (FDM) approach. To…

This paper presents an asymptotically compatible error bound for the finite element method (FEM) applied to a nonlocal diffusion model. The analysis covers two scenarios: meshes with and without shape regularity. For shape-regular meshes,…

Field-theoretical method is efficient in predicting the assembling structures of polymeric systems. However, for the polymer/nanoparticle mixture, the continuous density description is not suitable to capture the realistic assembly of…

Distribution matching is a fixed-length invertible mapping from a uniformly distributed bit sequence to shaped amplitudes and plays an important role in the probabilistic amplitude shaping framework. With conventional constantcomposition…

Distributed point charge models (DCM) and their minimal variants (MDCM) have been integrated with tools widely used for condensed-phase simulations, including a virial-based barostat and a slow-growth algorithm for thermodynamic…

The Fast Multipole Method (FMM) offers an acceleration for pairwise interaction calculation, known as $N$-body problems, from $\mathcal{O}(N^2)$ to $\mathcal{O}(N)$ with $N$ particles. This has brought dramatic increase in the capability of…

Masked diffusion models (MDMs) have recently emerged as a promising alternative to autoregressive models over discrete domains. MDMs generate sequences in an any-order, parallel fashion, enabling fast inference and strong performance on…

Computational elucidation of membrane protein (MP) structures is challenging partially due to lack of sufficient solved structures for homology modeling. Here we describe a high-throughput deep transfer learning method that first predicts…

In this paper, phase correction and amplitude compensation are introduced to a previously developed mixed domain method (MDM), which is only accurate for modeling wave propagation in weakly heterogeneous media. Multiple reflections are also…

By means of the variational approximation (VA), a system of ordinary differential equations (ODEs) is derived to describe the propagation of antisymmetric solitons in a multi-channel (WDM) optical fiber link subject to strong dispersion…

We introduce the Frustrated Distance Matrix (FDM) model, a dynamic extension of the static distance-matrix ensemble on S^2 analyzed by Bogomolny, Bohigas, and Schmit (BBS). Its entries are pairwise geodesic distances between N Brownian…