Related papers: Stochastic Constrained Extended System Dynamics fo…
Lagrangian particle methods based on detailed atomic and molecular models are powerful computational tools for studying the dynamics of microscale and nanoscale systems. However, the maximum time step is limited by the smallest oscillation…
A new Lagrangian particle method for solving Euler equations for compressible inviscid fluid or gas flows is proposed. Similar to smoothed particle hydrodynamics (SPH), the method represents fluid cells with Lagrangian particles and is…
The equations of Lagrangian gas dynamics fall into the larger class of overdetermined hyperbolic and thermodynamically compatible (HTC) systems of partial differential equations. They satisfy an entropy inequality (second principle of…
This paper addresses the stabilization problem of stochastic jump systems (SJSs) closed by a generally sampled controller. Because of the controller's switching and state both sampled, it is challenging to study its stabilization. A new…
The recent development of spectral method has been praised for its high-order convergence in simulating complex physical problems. The combination of embedded boundary method and spectral method becomes a mainstream way to tackle…
Self-consistent field theory (SCFT) is one of the most widely-used framework in studying the equilibrium phase behaviors of inhomogenous polymers. For liquid crystalline polymeric systems, the main numerical challenges of solving SCFT…
This paper presents a novel high-order cell-centered Lagrangian scheme for 2D compressible hydrodynamics by bridging the multi-moment constrained finite volume method (MCV) [16, 51, 52] with a nodal Riemann solver. This scheme (denoted by…
The constant potential molecular dynamics simulation method proposed by Siepmann and Sprik and reformulated later by Reed (SR-CPM) has been widely employed to investigate the metallic electrolyte/electrode interfaces, especially for…
The convergence property of a stochastic algorithm for the self-consistent field (SCF) calculations of electron structures is studied. The algorithm is formulated by rewriting the electron charges as a trace/diagonal of a matrix function,…
Semi-Lagrangian (SL) schemes are known as a major numerical tool for solving transport equations with many advantages and have been widely deployed in the fields of computational fluid dynamics, plasma physics modeling, numerical weather…
Stochastic gradient methods (SGMs) have been widely used for solving stochastic optimization problems. A majority of existing works assume no constraints or easy-to-project constraints. In this paper, we consider convex stochastic…
This paper addresses the problem of optimizing charging/discharging schedules of electric vehicles (EVs) when participate in demand response (DR). As there exist uncertainties in EVs' remaining energy, arrival and departure time, and future…
We develop a third-order conservative semi-Lagrangian discontinuous Galerkin (SLDG) scheme for solving linear transport equations on curvilinear unstructured triangular meshes, tailored for complex geometries. To ensure third-order spatial…
A new kinetic self-consistent method is presented based on the proposed Gaussian Superposition Principle for computation of ensemble averaged observables of a macromolecule interacting via two-body forces. The latter leads to the derivation…
We develop a stochastic formulation of the optimally-tuned range-separated hybrid density functional theory which enables significant reduction of the computational effort and scaling of the non-local exchange operator at the price of…
This work analyzes the overall computational complexity of the stochastic Galerkin finite element method (SGFEM) for approximating the solution of parameterized elliptic partial differential equations with both affine and non-affine random…
We develop error estimates for the semi-discrete conservative spectral method for the approximation of the elastic and inelastic space homogeneous Boltzmann equation introduced by the authors in \cite{GT09}. In addition we study the long…
This paper is devoted to the numerical symplectic approximation of the charged-particle dynamics (CPD) with arbitrary electromagnetic fields. By utilizing continuous-stage methods and exponential integrators, a general class of symplectic…
This paper presents a novel method to synthesize stochastic control Lyapunov functions for a class of nonlinear, stochastic control systems. In this work, the classical nonlinear Hamilton-Jacobi-Bellman partial differential equation is…
We introduce an efficient and accurate staggered-grid finite-difference (SGFD) method to solve the two-dimensional elastic wave equation. We use a coupled first-order stress-velocity formulation. In the standard implementation of SGFD…