Numerical superposition of Gaussian beams over propagating domain for high frequency waves and high-order invariant-preserving methods for dispersive waves

This thesis is devoted to efficient numerical methods and their implementations for two classes of wave equations. The first class is linear wave equations in very high frequency regime, for which one has to use some asymptotic approach to address the computational challenges. We focus on the use of the Gaussian beam superposition to compute the semi--classical limit of the Schr {o}dinger equation. The second class is dispersive wave equations arising in modeling water waves. For the Whitham equation, so-called the Burgers--Poisson equation, we design, analyze, and implement local discontinuous Galerkin methods to compute the energy conservative solutions with high-order of accuracy. Our Gaussian beam (GB) approach is based on the domain-propagation GB superposition algorithm introduced by Liu and Ralston [Multiscale Model. Simul., 8(2), 2010, 622--644]. We construct an efficient numerical realization of the domain propagation-based Gaussian beam superposition for solving the Schr odinger equation. The method consists of several significant steps: a semi-Lagrangian tracking of the Hamiltonian trajectory using the level set representation, a fast search algorithm for the effective indices associated with the non-trivial grid points that contribute to the approximation, an accurate approximation of the delta function evaluated on the Hamiltonian manifold, as well as efficient computation of Gaussian beam components over the effective grid points. Numerical examples in one and two dimensions demonstrate the efficiency and accuracy of the proposed algorithms. For the Burgers--Poisson equation, we design, analyze and test a class of local discontinuous Galerkin methods. This model, proposed by Whitham [Linear and Nonlinear Waves, John Wiley & Sons, New York, 1974] as a simplified model for shallow water waves, admits conservation of both momentum and energy as two invariants. The proposed numerical method is high order accurate and preserves two invariants, hence producing solutions with satisfying long time behavior. The $L^2$-stability of the scheme for general solutions is a consequence of the energy preserving property. The optimal order of accuracy for polynomial elements of even degree is proven. A series of numerical tests is provided to illustrate both accuracy and capability of the method

Dynamische Systeme

This workshop, organized by Hakan Eliasson (Paris), Helmut Hofer (Princeton) and Jean-Christophe Yoccoz (Paris), continued the biannual series at Oberwolfach on Dynamical Systems that started as the “Moser– Zehnder meeting” in 1981. The workshop was attended by more than 50 participants from 12 countries. The main theme of the workshop were the new results and developments in the area of classical dynamical systems, in particular in celestial mechanics and Hamiltonian systems. Among the main topics were KAM theory in finite and infinite dimensions, and new developments in Floer homology (Rabinowitz-Floer homology)

Classical and Quantum Mechanical Models of Many-Particle Systems

The topic of this meeting were non-linear partial differential and integro-differential equations (in particular kinetic equations and their macroscopic/fluid-dynamical limits) modeling the dynamics of many-particle systems with applications in physics, engineering, and mathematical biology. Typical questions of interest were the derivation of macro-models from micro-models, the mathematical analysis (well-posedness, stability, asymptotic behavior of solutions), and –to a lesser extend– numerical aspects of such equations

Geometric Numerical Integration

The subject of this workshop was numerical methods that preserve geometric properties of the flow of an ordinary or partial differential equation. This was complemented by the question as to how structure preservation affects the long-time behaviour of numerical methods

Molecular Dynamics Simulation

Condensed matter systems, ranging from simple fluids and solids to complex multicomponent materials and even biological matter, are governed by well understood laws of physics, within the formal theoretical framework of quantum theory and statistical mechanics. On the relevant scales of length and time, the appropriate ‘first-principles’ description needs only the Schroedinger equation together with Gibbs averaging over the relevant statistical ensemble. However, this program cannot be carried out straightforwardly—dealing with electron correlations is still a challenge for the methods of quantum chemistry. Similarly, standard statistical mechanics makes precise explicit statements only on the properties of systems for which the many-body problem can be effectively reduced to one of independent particles or quasi-particles. [...

Atomistic Models of Materials: Mathematical Challenges

[no abstract available