Name
Abstract | ||
|---|---|---|
In many molecular dynamics simulation software packages and hardware implementations, piecewise polynomials are used to represent and compute pairwise potential functions efficiently. In this paper, we present three modifications applicable to most interpolations to increase their accuracy. The increased accuracy reduces the amount of data that needs to be stored for each interaction potential, making such interpolations more suitable for architectures with limited memory and/or cache or hardware implementations. |
Year | DOI | Venue |
|---|---|---|
2010 | 10.1016/j.jcp.2009.09.028 | J. Comput. Physics |
Keywords | Field | DocType |
simulation software package,potential function,65d20,piecewise polynomial interpolation,limited memory,pairwise potential function,65d10,02.30.mv,65d07,molecular dynamics,hardware implementation,chebyshev polynomials,02.70.ns,potential function evaluation,65d05,02.60.gf,horner scheme,increased accuracy,02.60.ed,83.10.rs,molecular dynamic,65y99,31.15.xv,interaction potential,piecewise polynomial,polynomial interpolation,chebyshev polynomial | Chebyshev polynomials,Pairwise comparison,Mathematical optimization,Polynomial,Polynomial interpolation,Cache,Interpolation,Algorithm,Computational science,Software,Mathematics,Piecewise | Journal |
Volume | Issue | ISSN |
229 | 2 | Journal of Computational Physics |
Citations | PageRank | References |
1 | 0.43 | 5 |
Authors | ||
1 | ||
Name | Order | Citations | PageRank |
|---|---|---|---|
| Pedro Gonnet | 1 | 89 | 13.43 |