Ultracold gases promise many applications in quantum metrology, simulation and computation. In this context, optimal control theory (OCT) provides a versatile framework for the efficient preparation of complex quantum states. However, due to the high computational cost, OCT of ultracold gases has so far mostly been applied to one-dimensional (1D) problems. Here, we realize computationally efficient OCT of the Gross-Pitaevskii equation to manipulate Bose-Einstein condensates in all three spatial dimensions. We study various realistic experimental applications where 1D simulations can only be applied approximately or not at all. Moreover, we provide a stringent mathematical footing for our scheme and carefully study the creation of elementary excitations and their minimization using multiple control parameters. The results are directly applicable to recent experiments and might thus be of immediate use in the ongoing effort to employ the properties of the quantum world for technological applications.

This paper presents transient numerical simulations of hydraulic systems in engineering applications using the spectral element method (SEM). Along with a detailed description of the underlying numerical method, it is shown that the SEM yields highly accurate numerical approximations at modest computational costs, which is in particular useful for optimizationbased control applications. In order to enable fast explicit time stepping methods, the boundary conditions are imposed weakly using a numerically stable upwind discretization. The benefits of the SEM in the area of hydraulic system simulations are demonstrated in various examples including several simulations of strong water hammer effects. Due to its exceptional convergence characteristics, the SEM is particularly well suited to be used in real-time capable control applications. As an example, it is shown that the time evolution of pressure waves in a large scale pumped-storage power plant can be well approximated using a low-dimensional system representation utilizing a minimum number of dynamical states.

Transient simulations of a resonant tunneling diode oscillator are presented. The semiconductor model for the diode consists of a set of time-dependent Schrödinger equations coupled to the Poisson equation for the electric potential. The one-dimensional Schrödinger equations are discretized by the finite-difference Crank-Nicolson scheme using memory-type transparent boundary conditions which model the injection of electrons from the reservoirs. This scheme is unconditionally stable and reflection-free at the boundary. An efficient recursive algorithm due to Arnold, Ehrhardt, and Sofronov is used to implement the transparent boundary conditions, enabling simulations which involve a very large number of time steps. Special care has been taken to provide a discretization of the boundary data which is completely compatible with the underlying finite-difference scheme. The transient regime between two stationary states and the self-oscillatory behavior of an oscillator circuit, containing a resonant tunneling diode, is simulated for the first time.

Discrete transparent boundary conditions (DTBC) and the Perfectly Matched Layers (PML) method for the realization of open boundary conditions in quantum device simulations are compared, based on the stationary and time-dependent Schrödinger equation. The comparison includes scattering state, wave packet, and transient scattering state simulations in one and two space dimensions. The Schrödinger equation is discretized by a second-order Crank-Nicolson method in case of DTBC. For the discretization with PML, symmetric second-, fourth, and sixth-order spatial approximations as well as Crank-Nicolson and classical Runge-Kutta timeintegration methods are employed. In two space dimensions, a ring-shaped quantum waveguide device is simulated in the stationary and transient regime. As an application, a simulation of the Aharonov-Bohm effect in this device is performed, showing the excitation of bound states localized in the ring region. The numerical experiments show that the results obtained from PML are comparable to those obtained using DTBC, while keeping the high numerical efficiency and flexibility as well as the ease of implementation of the former method.