Parallel computational techniques for the analysis of sedimentation velocity experiments in UltraScan

Emre Brookes, Borries Demeler

Research output: Contribution to journalArticle

35 Scopus citations

Abstract

The advent of parallel computing technology and low-cost computing hardware has facilitated the adoption of high-performance computing tools for the analysis of sedimentation data. Over the past 15 years, we have developed the UltraScan software (Demeler et al., http://ultrascan.uthscsa.edu) to support sedimentation analysis, experimental design, and data management. We describe here recent extensions and advances in methodology that have been adapted in UltraScan. High-performance computing methods implemented on parallel supercomputers utilizing grid computing technology are used to analyze sedimentation experiments at much higher resolution than was previously possible. We discuss the implementation of parallel computing in three novel algorithms used in UltraScan for modeling of sedimentation velocity experiments and provide guidelines for effective data analysis.

Original languageEnglish (US)
Pages (from-to)139-148
Number of pages10
JournalColloid and Polymer Science
Volume286
Issue number2
DOIs
StatePublished - Feb 1 2008

Keywords

  • Genetic algorithms
  • MPI
  • Monte Carlo
  • Two-dimensional spectrum analysis

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Polymers and Plastics
  • Colloid and Surface Chemistry
  • Materials Chemistry

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