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

Authors:
Dipesh Bhattarai;Bijaya B. Karki
Affiliations:
Louisiana State University, Baton Rouge, Louisiana;Louisiana State University, Baton Rouge, Louisiana
Venue:
ACM-SE 45 Proceedings of the 45th annual southeast regional conference
Year:
2007

Citing 4
Cited 1

The quickhull algorithm for convex hulls

ACM Transactions on Mathematical Software (TOMS)
Visualizing diffusion tensor images of the mouse spinal cord

Proceedings of the conference on Visualization '98
Immersive and interactive exploration of billion-atom systems

Presence: Teleoperators and Virtual Environments - special issue: IEEE virtual reality 2002 conference
Semiology of graphics

Semiology of graphics

Ubiquitous Interactive Visualization of 3-D Mantle Convection through Web Applications Using Java

ISVC '08 Proceedings of the 4th International Symposium on Advances in Visual Computing, Part II

Quantified Score

Hi-index	0.04

Visualization

Abstract

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.