128 search results - page 1 / 26 » Effect of available volumes on radial distribution functions |
JCC
1998
13 years 5 months ago
1998
JCPHY
2011
12 years 8 months ago
2011
The calculation of radial distribution functions (RDFs) from molecular dynamics trajectory data is a common and computationally expensive analysis task. The rate limiting step in ...
SIAMSC
2008
13 years 5 months ago
2008
Abstract. We present a new derivative-free algorithm, ORBIT, for unconstrained local optimization of computationally expensive functions. A trust-region framework using interpolati...
BMCBI
2006
13 years 5 months ago
2006
Background: The modeling of dynamic systems requires estimating kinetic parameters from experimentally measured time-courses. Conventional global optimization methods used for par...
CGF
2006
13 years 5 months ago
2006
Functional approximation of scattered data is a popular technique for compactly representing various types of datasets in computer graphics, including surface, volume, and vector ...