Comparison of split-operator methods for solving coupled chemical nonequilibrium reaction/groundwater transport models
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In this thesis we explore uncertainty quantification of forward and inverse problems involving differential equations. Differential equations are widely employed for modeling natural and social phenomena, with applications in engineering, chemistry, meteor ...
This thesis focuses on the numerical analysis of partial differential equations (PDEs) with an emphasis on first and second-order fully nonlinear PDEs. The main goal is the design of numerical methods to solve a variety of equations such as orthogonal maps ...
This paper introduces a new extragradient-type algorithm for a class of nonconvex-nonconcave minimax problems. It is well-known that finding a local solution for general minimax problems is computationally intractable. This observation has recently motivat ...
Mixed-precision algorithms combine low-and high-precision computations in order to benefit from the performance gains of reduced-precision without sacrificing accuracy. In this work, we design mixed-precision Runge-Kutta-Chebyshev (RKC) methods, where high ...
Among the single-trajectory Gaussian-based methods for solving the time-dependent Schrödinger equation, the variational Gaussian approximation is the most accurate one. In contrast to Heller’s original thawed Gaussian approximation, it is symplectic, conse ...
Essentially non-oscillatory (ENO) and weighted ENO (WENO) methods on equidistant Cartesian grids are widely used to solve partial differential equations with discontinuous solutions. However, stable ENO/WENO methods on unstructured grids are less well stud ...
Stabilized Runge???Kutta methods are especially efficient for the numerical solution of large systems of stiff nonlinear differential equations because they are fully explicit. For semi-discrete parabolic problems, for instance, stabilized Runge???Kutta me ...
Diabatization of the molecular Hamiltonian is a standard approach to remove the singularities of nonadiabatic couplings at conical intersections of adiabatic potential energy surfaces. In general, it is impossible to eliminate the nonadiabatic couplings en ...
Stabilized Runge–Kutta (aka Chebyshev) methods are especially efficient for the numerical solution of large systems of stiff differential equations because they are fully explicit; hence, they are inherently parallel and easily accommodate nonlinearity. Fo ...
Predictive gait simulations currently do not account for environmental or internal noise. We describe a method to solve predictive simulations of human movements in a stochastic environment using a collocation method. The optimization is performed over mul ...