448 search results - page 1 / 90 » Molecular Dynamics Simulation and Visualization |
HPCS
2007
IEEE
13 years 11 months ago
2007
IEEE
One of the challenges in the large-scale simulations required for many molecular systems (such as those of biological interested) is the recording, monitoring and visualization of...
VIS
2004
IEEE
14 years 6 months ago
2004
IEEE
In this article we explore techniques to detect and visualize features in data from molecular dynamics (MD) simulations. Although the techniques proposed are general, we focus on ...
IV
1999
IEEE
13 years 9 months ago
1999
IEEE
We have developed atomic-scale material models capable of melting, crystallization and amorphization. These models feature molecular dynamics governed by Langevin equations of mot...
VISUALIZATION
2002
IEEE
13 years 9 months ago
2002
IEEE
The bioactivity of a molecule strongly depends on its metastable conformational shapes and the transitions between these. Therefore, conformation analysis and visualization is a b...
APVIS
2011
2011
Loose capacity-constrained representatives for the qualitative visual analysis in molecular dynamics
12 years 4 months ago
Molecular dynamics is a widely used simulation technique to investigate material properties and structural changes under external forces. The availability of more powerful cluster...