67 search results - page 1 / 14 » Performance Modeling, Analysis, and Optimization of Cell-Lis... |
CSC
2010
12 years 11 months ago
2010
- 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...
PR
2007
13 years 3 months ago
2007
Given a data set, a dynamical procedure is applied to the data points in order to shrink and separate, possibly overlapping clusters. Namely, Newton’s equations of motion are em...
COMPLIFE
2006
Springer
13 years 8 months ago
2006
Springer
We present a method for simultaneous dimension reduction and metastability analysis of high dimensional time series. The approach is based on the combination of hidden Markov model...
ASAP
2009
IEEE
14 years 1 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...
WSC
1998
13 years 5 months ago
1998
We have taken a NIST molecular dynamics simulation program (md3), which was configured as a single sequential process running on a CRAY C90 vector supercomputer, and parallelized ...