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Using piecewise polynomials for faster potential function evaluation

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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]
Copyright of Journal of Computational Physics is the property of Academic Press Inc. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
Database: Engineering Source
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DbLabel: Engineering Source
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PubType: Academic Journal
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  Data: <searchLink fieldCode="JN" term="%22Journal+of+Computational+Physics%22">Journal of Computational Physics</searchLink>. Jan2010, Vol. 229 Issue 2, p313-324. 12p.
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  Data: 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]
– Name: AbstractSuppliedCopyright
  Label:
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  Data: <i>Copyright of Journal of Computational Physics is the property of Academic Press Inc. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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        Value: 10.1016/j.jcp.2009.09.028
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      – Code: eng
        Text: English
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        PageCount: 12
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      – SubjectFull: Chebyshev polynomials
        Type: general
      – SubjectFull: Molecular dynamics
        Type: general
      – SubjectFull: Potential theory (Mathematics)
        Type: general
      – SubjectFull: Interpolation
        Type: general
      – SubjectFull: Computer architecture
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      – SubjectFull: Information retrieval
        Type: general
      – SubjectFull: Cache memory
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      – TitleFull: Using piecewise polynomials for faster potential function evaluation
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              M: 01
              Text: Jan2010
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