Beitrag von S. Kottravel, R. Volpi, M. Linares, T. Ropinski und I. Hotz über die Visualisierung des Transports elektrischer Ladungen in organischen Solarzellen in Zeitschrift 'Informatics' angenommen.

We present a visualization system for analyzing stochastic particle trajectory ensembles, resulting from Kinetic Monte-Carlo simulations on charge transport in organic solar cells.

The system aims at supporting the analysis of charge trajectories in the context of complex material morphologies. Thus, it enables the inspection of individual trajectories or the entire ensemble on different levels of abstraction. In addition, we intruduce characteristic measures to quantify the efficiency of the charge transport.

In sum, we contribute to a understanding of the charge trajectories by:

1. Capturing individual trajectory behavior and provide an ensemble overview
2. Enabling exploration through linked interaction between 3D representations and plots of characteristics measures
3. Discover potential traps in the material morphology
4. Study preferential paths

The visualization system has been continuously developed along with the development of new hypothesis and questions on organic solar cells. Findings derived from the first visualizations, as e.g. new efficiency measures have become new features of the system. Most of these features have arisen from discussions combining the data-perspective view of the visualization models and the physical background knowledge of the underlying processes.

Although our system has been built for a specific application, the concepts translate to data sets for other stochastic particle simulations.