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» Reconfigurable Molecular Dynamics Simulator
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ISVC
2009
Springer
14 years 3 months ago
Visualization of the Molecular Dynamics of Polymers and Carbon Nanotubes
Abstract. Research domains that deal with complex molecular systems often employ computer-based thermodynamics simulations to study molecular interactions and investigate phenomena...
Sidharth Thakur, Syamal Tallury, Melissa A. Pasqui...
ASPDAC
2009
ACM
137views Hardware» more  ASPDAC 2009»
14 years 3 months ago
Reconfigurable double gate carbon nanotube field effect transistor based nanoelectronic architecture
-- Carbon nanotubes (CNTs) and carbon nanotube field effect transistors (CNFETs) have demonstrated extraordinary properties and are widely accepted as the building blocks of next g...
Bao Liu
SC
2000
ACM
14 years 3 months ago
Scalable Molecular Dynamics for Large Biomolecular Systems
We present an optimized parallelization scheme for molecular dynamics simulations of large biomolecular systems, implemented in the production-quality molecular dynamics program N...
Robert Brunner, James C. Phillips, Laxmikant V. Ka...
VISUALIZATION
2002
IEEE
14 years 3 months ago
Visualizing Dynamic Molecular Conformations
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...
Johannes Schmidt-Ehrenberg, Daniel Baum, Hans-Chri...
SC
1995
ACM
14 years 2 months ago
I/O Limitations in Parallel Molecular Dynamics
Abstract We discuss data production rates and their impact on the performance of scientific applications using parallel computers. On one hand, too high rates of data production c...
Terry W. Clark, L. Ridgway Scott, Stanislaw Wloked...