Introducing alpha shapes for the analysis of path integral Monte Carlo results

  • Authors:
  • Patrick J. Moran;Marcus Wagner

  • Affiliations:
  • University of Illinois at Urbana-Champaign;University of Illinois at Urbana-Champaign

  • Venue:
  • VIS '94 Proceedings of the conference on Visualization '94
  • Year:
  • 1994

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Abstract

We present a new technique for the visualization and analysis of the results from Monte Carlo simulations based on α-complexes and α-shapes. The specific application we present in this article is the analysis of the quantum-mechanical behavior of hydrogen molecules and helium atoms on a surface at very low temperatures. Our technique is an improvement over existing techniques in two respects. First, our approach allows one to visualize the points on a random walk at varying levels of detail and interactively select the level of detail that is most appropriate. Second using α-shapes one can obtain quantitative measures of spatial properties of the system, such as the boundary length and interior area of clusters, that would be difficult to obtain otherwise.