Related papers: Explicit Exactly Energy-conserving Methods for Ham…
We present a quantum electronic embedding method derived from the exact factorization approach to calculate static properties of a many-electron system. The method is exact in principle but the practical power lies in utilizing input from a…
Energy-preserving numerical methods for solving the Hodge wave equation is developed in this paper. Based on the de Rham complex, the Hodge wave equation can be formulated as a first-order system and mixed finite element methods using…
This paper focuses on the numerical approximation of the linearized shallow water equations using hybridizable discontinuous Galerkin (HDG) methods, leveraging the Hamiltonian structure of the evolution system. First, we propose an…
We propose a variational symplectic numerical method for the time integration of dynamical systems issued from the least action principle. We assume a quadratic internal interpolation of the state and we approximate the action in a small…
Estimating the eigenvalue or energy gap of a Hamiltonian H is vital for studying quantum many-body systems. Particularly, many of the problems in quantum chemistry, condensed matter physics, and nuclear physics investigate the energy gap…
In this paper, we consider numerical approximations for solving the nonlinear magneto-hydrodynamical system, that couples the Navier-Stokes equations and Maxwell equations together. A challenging issue to solve this model numerically is…
We introduce energy-preserving integrators for nonholonomic mechanical systems. We will see that the nonholonomic dynamics is completely determined by a triple $({\mathcal D}^*, \Pi, \mathcal{H})$, where ${\mathcal D}^*$ is the dual of the…
We investigate two unconditionally energy stable invariant energy quadratization (IEQ) finite element methods (FEMs) [Chen et al. Numerical Algorithms, DOI: 10.1007/s11075-024-01910-z, 2024] for solving the Cahn-Hilliard-Navier-Stokes…
We consider a nonlinear variational wave equation that models the dynamics of the director field in nematic liquid crystals with high molecular rotational inertia. Being derived from an energy principle, energy stability is an intrinsic…
We present an \textit{ab initio} auxiliary field quantum Monte Carlo method for studying the electronic structure of molecules, solids, and model Hamiltonians at finite temperature. The algorithm marries the \textit{ab initio} phaseless…
Traditional numerical discretizations of conservative systems generically yield an artificial secular drift of any nonlinear invariants. In this work we present an explicit nontraditional algorithm that exactly conserves these invariants.…
We consider the numerical approximations of the Cahn-Hilliard equation with dynamic boundary conditions (C. Liu et. al., Arch. Rational Mech. Anal., 2019). We propose a first-order in time, linear and energy stable numerical scheme, which…
We study energy-conserving Hamiltonian Boundary Value Methods (HBVMs) for Hamiltonian systems, which arise in applications where long-term preservation of energy and symplecticity is essential. HBVMs are multi-stage schemes whose stage…
We present a numerical scheme for approximating the incompressible Navier-Stokes equations based on an auxiliary variable associated with the total system energy. By introducing a dynamic equation for the auxiliary variable and…
After a brief comprehensive review of old and new results on the well known Fermi-Pasta-Ulam (FPU) conservative system of $N$ nonlinearly coupled oscillators, we present a compact linear mode representation of the Hamiltonian of the FPU…
A rotation-two-component Camassa-Holm (R2CH) system was proposed recently to describe the motion of shallow water waves under the influence of gravity. This is a highly nonlinear and strongly coupled system of partial differential…
In this paper, we present first-order accurate numerical methods for solution of the heat equation with uncertain temperature-dependent thermal conductivity. Each algorithm yields a shared coefficient matrix for the ensemble set improving…
In this paper, we develop high-order splitting methods for linear port-Hamiltonian systems, focusing on preserving their intrinsic structure, particularly the dissipation inequality. Port-Hamiltonian systems are characterized by their…
Simulation of realistic classical mechanical systems is of great importance to many areas of engineering such as robotics, dynamics of rotating machinery and control theory. In this work, we develop quantum algorithms to estimate quantities…
The recently-introduced relaxation approach for Runge-Kutta methods can be used to enforce conservation of energy in the integration of Hamiltonian systems. We study the behavior of implicit and explicit relaxation Runge-Kutta methods in…