相关论文: Analytically approximate solution to the VLE probl…

A semi-implicit, residual-based variational multiscale (VMS) formulation is developed for the incompressible Navier--Stokes equations. The approach linearizes convection using an extrapolated (Oseen-type) convecting velocity, producing a…

The relationships among the pressure P, volume V, and temperature T of solid-state materials are described by their equations of state (EOSs), which are often derived from the consideration of the finite-strain energy or the interatomic…

Exact solvability (ES) of one-dimensional quantum potentials $V(x)$ is a vague concept. We propose that beyond its most conventional range the ES status should be attributed also to many less common interaction models for which the wave…

A promising approach to useful computational quantum advantage is to use variational quantum algorithms for optimisation problems. Crucial for the performance of these algorithms is to ensure that the algorithm converges with high…

Global microphysics models are required for the modelling of high-energy-density physics (HEDP) experiments, the improvement of which are critical to the path to inertial fusion energy. This work presents further developments to the atomic…

We compute time-periodic and relative-periodic solutions of the free-surface Euler equations that take the form of overtaking collisions of unidirectional solitary waves of different amplitude on a periodic domain. As a starting guess, we…

The quantum-computational cost of determining ground state energies through quantum phase estimation depends on the overlap between an easily preparable initial state and the targeted ground state. The Van Vleck orthogonality catastrophe…

The minimum Kullback entropy principle (mKE) is a useful tool to estimate quantum states and operations from incomplete data and prior information. In general, the solution of a mKE problem is analytically challenging and an approximate…

The objective of this paper is to derive a method of constructing semi-analytic solutions to the Noh Problem when the equation of state (EoS) is a black box. Such solutions can be used for verification tests of hydrodynamics codes. We…

Variable Coefficient Korteweg de Vries (vcKdV), Modified Korteweg de Vries (vcMKdV), and nonlinear Schrodinger (NLS) equations have a long history dating from their derivation in various applications. A technique based on extended Lax Pairs…

Variational methods are of fundamental importance and widely used in theoretical physics, especially for strongly interacting systems. In this work, we present a set of variational equations of state (VES) for pure states of an interacting…

We propose an efficient threshold dynamics method for topology optimization for fluids modeled with the Stokes equation. The proposed algorithm is based on minimization of an objective energy function that consists of the dissipation power…

Quantum computers have the potential for an exponential speedup of classical molecular computations. However, existing algorithms have limitations; quantum phase estimation (QPE) algorithms are intractable on current hardware while…

We describe the numerical scheme for the discretization and solution of 2D elliptic equations with strongly varying piecewise constant coefficients arising in the stochastic homogenization of multiscale composite materials. An efficient…

We establish stable finite element (FE) approximations of convection-diffusion initial boundary value problems using the automatic variationally stable finite element (AVS-FE) method. The transient convection-diffusion problem leads to…

We use transition path sampling to study evaporation in the SPC/E model of liquid water. Based on thousands of evaporation trajectories, we characterize the members of the transition state ensemble (TSE), which exhibit a liquid-vapor…

Surface integral equation (SIE) methods are of great interest for the numerical solution of Maxwell's equations in the presence of homogeneous objects. However, existing SIE algorithms have limitations, either in terms of scalability,…

We propose a physical analogy between finding the solution of an ordinary differential equation (ODE) and a $N$ particle problem in statistical mechanics. It uses the fact that the solution of an ODE is equivalent to obtain the minimum of a…

A classical 3-D thermoviscoelastic system of Kelvin-Voigt type is considered. The existence and uniqueness of a global regular solution is proved without small data assumption. The existence proof is based on the successive approximation…

We propose a novel algorithm based on inexact GMRES methods for linear response calculations in density functional theory. Such calculations require iteratively solving a nested linear problem $\mathcal{E} \delta\rho = b$ to obtain the…