Name
Abstract | ||
|---|---|---|
Research domains that deal with complex molecular systems often employ computer-based thermodynamics simulations to study molecular interactions and investigate phenomena at the nanoscale. Many visual and analytic methods have proven useful for analyzing the results of molecular simulations; however, these methods have not been fully explored in many emerging domains. In this paper we explore visual-analytics methods to supplement existing standard methods for studying the spatial-temporal dynamics of polymer-nanotube interface. Our methods are our first steps towards the overall goal of understanding macroscopic properties of the composites by investigating dynamics and chemical properties of the interface. We discuss a standard computational approach for comparing polymer conformations using numerical measures of similarities and present matrix- and graph-based representations of the similarity relationships for some polymer structures. |
Year | DOI | Venue |
|---|---|---|
2009 | 10.1007/978-3-642-10520-3_12 | ISVC |
Keywords | Field | DocType |
molecular interaction,molecular dynamics,carbon nanotubes,standard computational approach,analytic method,polymer-nanotube interface,molecular simulation,polymer structure,complex molecular system,polymer conformation,chemical property,standard method,visual analytics,chemical properties,thermodynamics,molecular dynamic,carbon nanotube | Molecular conformation,Graph,Polymer,Pattern recognition,Molecular interactions,Biological system,Matrix (mathematics),Computer science,Visualization,Molecular dynamics,Artificial intelligence,Carbon nanotube | Conference |
Volume | ISSN | Citations |
5876 | 0302-9743 | 0 |
PageRank | References | Authors |
0.34 | 12 | 4 |
Name | Order | Citations | PageRank |
|---|---|---|---|
| Sidharth Thakur | 1 | 42 | 4.28 |
| Syamal Tallury | 2 | 0 | 0.34 |
| Melissa A. Pasquinelli | 3 | 0 | 0.34 |
| Theresa-Marie Rhyne | 4 | 194 | 24.14 |