Bibliographic Details
| Title: |
Using piecewise polynomials for faster potential function evaluation |
| Authors: |
Gonnet, Pedro1 gonnetp@inf.ethz.ch |
| Source: |
Journal of Computational Physics. Jan2010, Vol. 229 Issue 2, p313-324. 12p. |
| Subjects: |
Chebyshev polynomials, Molecular dynamics, Potential theory (Mathematics), Interpolation, Computer architecture, Information retrieval, Cache memory |
| Abstract: |
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. [Copyright &y& Elsevier] |
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| Database: |
Engineering Source |
