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ICPP
2006
IEEE
15 years 3 months ago
2006
IEEE
— Molecular Dynamics (MD) is an important atomistic simulation technique, with widespread use in computational chemistry, biology, and materials. An important limitation of MD is...
VIS
2004
IEEE
15 years 10 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 ...
DAGSTUHL
2010
14 years 11 months ago
2010
We present a novel method to measure saliency in molecular dynamics simulation data. This saliency measure is based on a multiscale center-surround mechanism, which is fast and ef...
ASAP
2009
IEEE
15 years 6 months ago
2009
IEEE
—Molecular dynamics simulation based on discrete event simulation (DMD) is emerging as an alternative to time-step driven molecular dynamics (MD). DMD uses simplified discretize...
CPHYSICS
2006
14 years 9 months ago
2006
Progress in adapting molecular dynamics algorithms for systems with short-range interactions to utilize the features of modern supercomputers is described. Efficient utilization o...