WavePacket: A Matlab package for numerical quantum dynamics. II: Open quantum systems, optimal control, and model reduction

WavePacket is an open-source program package for numeric simulations in quantum dynamics. It can solve time-independent or time-dependent linear Schr\"odinger and Liouville-von Neumann-equations in one or more dimensions. Also coupled equations can be treated, which allows, e.g., to simulate molecular quantum dynamics beyond the Born-Oppenheimer approximation. Optionally accounting for the interaction with external electric fields within the semi-classical dipole approximation, WavePacket can be used to simulate experiments involving tailored light pulses in photo-induced physics or chemistry. Being highly versatile and offering visualization of quantum dynamics 'on the fly', WavePacket is well suited for teaching or research projects in atomic, molecular and optical physics as well as in physical or theoretical chemistry. Building on the previous Part I which dealt with closed quantum systems and discrete variable representations, the present Part II focuses on the dynamics of open quantum systems, with Lindblad operators modeling dissipation and dephasing. This part also describes the WavePacket function for optimal control of quantum dynamics, building on rapid monotonically convergent iteration methods. Furthermore, two different approaches to dimension reduction implemented in WavePacket are documented here. In the first one, a balancing transformation based on the concepts of controllability and observability Gramians is used to identify states that are neither well controllable nor well observable. Those states are either truncated or averaged out. In the other approach, the H2-error for a given reduced dimensionality is minimized by H2 optimal model reduction techniques, utilizing a bilinear iterative rational Krylov algorithm

Colloidal ionic complexes on periodic substrates: ground state configurations and pattern switching

We theoretically and numerically studied ordering of "colloidal ionic clusters" on periodic substrate potentials as those generated by optical trapping. Each cluster consists of three charged spherical colloids: two negatively and one positively charged. The substrate is a square or rectangular array of traps, each confining one such cluster. By varying the lattice constant from large to small, the observed clusters are first rod-like and form ferro- and antiferro-like phases, then they bend into a banana-like shape and finally condense into a percolated structure. Remarkably, in a broad parameter range between single-cluster and percolated structures, we have found stable supercomplexes composed of six colloids forming grape-like or rocket-like structures. We investigated the possibility of macroscopic pattern switching by applying external electrical fields.Comment: 14 pages, 13 figure

Real Time Animation of Virtual Humans: A Trade-off Between Naturalness and Control

Virtual humans are employed in many interactive applications using 3D virtual environments, including (serious) games. The motion of such virtual humans should look realistic (or ‘natural’) and allow interaction with the surroundings and other (virtual) humans. Current animation techniques differ in the trade-off they offer between motion naturalness and the control that can be exerted over the motion. We show mechanisms to parametrize, combine (on different body parts) and concatenate motions generated by different animation techniques. We discuss several aspects of motion naturalness and show how it can be evaluated. We conclude by showing the promise of combinations of different animation paradigms to enhance both naturalness and control

Hill crossing during preheating after hilltop inflation

In 'hilltop inflation', inflation takes place when the inflaton field slowly rolls from close to a maximum of its potential (i.e. the 'hilltop') towards its minimum. When the inflaton potential is associated with a phase transition, possible topological defects produced during this phase transition, such as domain walls, are efficiently diluted during inflation. It is typically assumed that they also do not reform after inflation, i.e. that the inflaton field stays on its side of the 'hill', finally performing damped oscillations around the minimum of the potential. In this paper we study the linear and the non-linear phases of preheating after hilltop inflation. We find that the fluctuations of the inflaton field during the tachyonic oscillation phase grow strong enough to allow the inflaton field to form regions in position space where it crosses 'over the top of the hill' towards the 'wrong vacuum'. We investigate the formation and behaviour of these overshooting regions using lattice simulations: Rather than durable domain walls, these regions form oscillon-like structures (i.e. localized bubbles that oscillate between the two vacua) which should be included in a careful study of preheating in hilltop inflation.Comment: 22 pages, 10 figures, v2 matches publication in JCAP. Animated movies of our simulations are available online at https://particlesandcosmology.unibas.ch/files/hilltop_preheating.htm