相关论文: The multi-configurational time-dependent Hartree a…
High-order implicit shock tracking (fitting) is a class of high-order, optimization-based numerical methods to approximate solutions of conservation laws with non-smooth features by aligning elements of the computational mesh with…
Multiconfigurational Hartree-Fock theory is presented and implemented in an investigation of the fragmentation of a Bose-Einstein condensate made of identical bosonic atoms in a double well potential at zero temperature. The approach builds…
A high-order space-time flux reconstruction (FR) method has been developed to solve conservation laws on moving domains. In the space-time framework, the moving domain simulation is similar to that on a stationary domain, except that the…
The study of incompressible magnetohydrodynamic (MHD) turbulence gives useful insights on many astrophysical problems. We describe a pseudo-spectral MHD code suitable for the study of incompressible turbulence. We review our recent works on…
In this paper, we present a new space-time Petrov-Galerkin-like method. This method utilizes a mixed formulation of Tensor Train (TT) and Quantized Tensor Train (QTT), designed for the spectral element discretization (Q1-SEM) of the…
In this study, we propose a quantum-classical hybrid scheme for performing orbital-free density functional theory (OFDFT) using probabilistic imaginary-time evolution (PITE), designed for the era of fault-tolerant quantum computers (FTQC),…
We study the quantum many-body dynamics and the entropy production triggered by an interaction quench in a system of $N=10$ interacting identical bosons in an external one-dimensional harmonic trap. The multiconfigurational time-dependent…
We present extensive Monte Carlo simulations on a two-dimensional XY model with a modified form of interaction potential. Thermodynamic quantities other than energy, specific heat etc (such as magnetization, susceptibility, fourth order…
Discretizing an analytic function on a uniform real-space grid is often done via a straightforward collocation method. This is ubiquitous in all areas of computational physics and quantum chemistry. An example in Density Functional Theory…
We consider a scalar wave propagation in harmonic regime modelled by Helmholtz equation with heterogeneous coefficients. Using the Multi-Trace Formalism (MTF), we propose a new variant of the Optimized Schwarz Method (OSM) that can…
We construct a structure-preserving finite element method and time-stepping scheme for compressible barotropic magnetohydrodynamics (MHD) both in the ideal and resistive cases, and in the presence of viscosity. The method is deduced from…
Monte Carlo radiative transfer (MCRT) simulations are a powerful tool for determining the appearance of astrophysical objects, analyzing the prevalent physical conditions within them, and inferring their properties on the basis of real…
In this paper we propose and analyze a (temporally) third order accurate exponential time differencing (ETD) numerical scheme for the no-slope-selection (NSS) equation of the epitaxial thin film growth model, with Fourier pseudo-spectral…
Tree tensor network states (TTNSs) combined with the density matrix renormalization group (DMRG) are emerging as powerful tools for vibrational and vibronic structure simulations in molecules with strong coupling and fluxionality. In this…
Low-bit quantization emerges as one of the most promising compression approaches for deploying deep neural networks on edge devices. Mixed-precision quantization leverages a mixture of bit-widths to unleash the accuracy and efficiency…
Double beta decays are rare nuclear processes that can occur in two modes: two-neutrino double beta decay, observed in the Standard Model, and neutrinoless double beta decay, a hypothetical process with profound implications for Particle…
This paper presents approximation methods for time-dependent thermal radiative transfer problems in high energy density physics. It is based on the multilevel quasidiffusion method defined by the high-order radiative transfer equation (RTE)…
We present a time-dependent extension of logarithmic perturbation theory for nonrelativistic quantum dynamics governed by the Schr\"odinger equation, in which the logarithm of the wave function is expanded in powers of a coupling constant.…
In this paper, a family of arbitrarily high-order structure-preserving exponential Runge-Kutta methods are developed for the nonlinear Schr\"odinger equation by combining the scalar auxiliary variable approach with the exponential…
Computer simulation with Monte Carlo is an important tool to investigate the function and equilibrium properties of many systems with biological and soft matter materials solvable in solvents. The appropriate treatment of long-range…