Paper Info
Title
Computational Complexity Of Split Symplectic Md Integration Method
Abstract
A new Split Integration Symplectic Method (SISM) for molecular dynamics (MD) simulations is described. The method is evaluated on a system of N linear molecules of the form H-(-C=C-)(r)-H with the number of atoms in the chain equal to n = 2r + 2. The parallel algorithms, memory requirements, and time complexity are estimated. Run-time results of an implemented program are given for different high performance computers.
Year
DOI
Venue
1997
10.1016/S0927-5452(98)80069-5
PARALLEL COMPUTING: FUNDAMENTALS, APPLICATIONS AND NEW DIRECTIONS
Keywords
DocType
Volume
computational complexity
Conference
12
ISSN
Citations 
PageRank 
Advances in Parallel Computing
0
0.34
References 
Authors
10
3
Name
Order
Citations
PageRank
Roman Trobec118038.90
Franci Merzel2123.36
Dusanka Janezic3654.89