Exploring Electron Density Evolution using Merge Tree MappingsShow others and affiliations
2024 (English)In: EuroVis 2024 - Short Papers / [ed] Christian Tominski, Manuela Waldner, and Bei Wang, 2024Conference paper, Published paper (Refereed)
Abstract [en]
This paper presents a prototypical visualization for the analysis of light-induced dynamics in molecules. It utilizes topological distances to find temporal patterns in scalar fields representing the electronic structure of such molecules and to illustrate the evolution of their features. It also provides a means to correlate these findings to the geometric evolution of the molecules.
Place, publisher, year, edition, pages
2024.
Keywords [en]
Merge trees, merge tree metrics, topological data analysis, topology in visualization
National Category
Computer Sciences Human Computer Interaction
Identifiers
URN: urn:nbn:se:liu:diva-208068DOI: 10.2312/evs.20241069OAI: oai:DiVA.org:liu-208068DiVA, id: diva2:1902426
Conference
EuroVis 2024 - 26th EG Conference on Visualization, Odense, Denmark, May 27-31, 2024
Funder
Swedish e‐Science Research CenterSwedish Research Council, 2023-04806Swedish Research Council, 2022-02871Swedish Research Council, 2019-05487Wallenberg AI, Autonomous Systems and Software Program (WASP)
Note
This research was supported by the German Research Foundation (DFG): 442077441; the Swedish e-Science Research Center (SeRC); the Swedish Research Council (VR): 2019-05487, 2022-02871, 2023-04806; and, Wallenberg Autonomous Systems and Software Program (WASP) funded by the Knut and Alice Wallenberg Foundation. The simulations were enabled by the super-computing resource Berzelius provided by the National Supercomputer Centre (NSC) at Linköping University and the Knut and Alice Wallenberg Foundation.
2024-10-012024-10-012024-10-09