Deakin University
Browse

File(s) not publicly available

Atomistic visualization: On-the-fly data extraction and rendering

conference contribution
posted on 2007-05-17, 00:00 authored by Dipesh BhattaraiDipesh Bhattarai, B B Karki
In this paper, we present an approach involving on-the-fly data extraction and rendering to achieve a real-time integration between analysis and visualization of atomistic simulation data. The integration is demonstrated along two directions: The first direction is to explore coordination environments by rendering spatial variation and temporal stability of the coordination states computed for each atom, and the second direction is to explore the aggregate atomic movement by computing ellipsoids. Ellipsoids are computed from covariance matrices of the time-varying positional data. The proposed approach is applied to visualize the data from first-principles molecular dynamics simulations. © Copyright 2007 ACM.

History

Volume

2007

Pagination

437 - 442

ISBN-13

9781595936295

ISBN-10

1595936297

Title of proceedings

Proceedings of the Annual Southeast Conference

Usage metrics

    Research Publications

    Categories

    No categories selected

    Keywords

    Exports

    RefWorks
    BibTeX
    Ref. manager
    Endnote
    DataCite
    NLM
    DC