Sciweavers

448 search results - page 18 / 90
» Molecular Dynamics Simulation and Visualization
Sort
View
BMCBI
2010
141views more  BMCBI 2010»
13 years 7 months ago
Computing and visually analyzing mutual information in molecular co-evolution
Background: Selective pressure in molecular evolution leads to uneven distributions of amino acids and nucleotides. In fact one observes correlations among such constituents due t...
Sebastian Bremm, Tobias Schreck, Patrick Boba, Ste...
CSC
2010
13 years 2 months ago
Performance Modeling, Analysis, and Optimization of Cell-List Based Molecular Dynamics
- We have developed a performance prediction model for non-bonded interaction computations in molecular dynamics simulations, thereby predicting the optimal cell dimension in a lin...
Manaschai Kunaseth, Rajiv K. Kalia, Aiichiro Nakan...
VR
2002
IEEE
174views Virtual Reality» more  VR 2002»
13 years 7 months ago
Immersive and Interactive Exploration of Billion-Atom Systems
We have developed a visualization system, named Atomsviewer, to render a billion atoms from the results of a molecular dynamics simulation. This system uses a hierarchical view fr...
Ashish Sharma, Xinlian Liu, Paul Miller, Aiichiro ...
CPHYSICS
2008
161views more  CPHYSICS 2008»
13 years 7 months ago
Implementing peridynamics within a molecular dynamics code
Peridynamics (PD) is a continuum theory that employs a nonlocal model to describe material properties. In this context, nonlocal means that continuum points separated by a finite ...
Michael L. Parks, Richard B. Lehoucq, Steven J. Pl...
ICCS
2001
Springer
14 years 5 days ago
Supporting Car-Parrinello Molecular Dynamics with UNICORE
This paper presents the integration of application specific interfaces in the UNICORE Grid infrastructure. UNICORE provides a seamless and secure mechanism to access distributed s...
Valentina Huber