Name
Abstract | ||
|---|---|---|
Modern chemistry involves a mix of experimentation and computer-supported theory. Historically, these skills have been provided by different groups, and range from traditional “wet” laboratory science to advanced numerical simulation. This paper discusses the application of advanced e-Science software tools to electrochemistry research and involves collaboration between laboratories at Monash and Oxford Universities. In particular, we show how the Nimrod/OK tool can be used to automate the estimation of electrochemical parameters in Fourier transformed voltammetry. Replacing an ad-hoc manual process with e-Science tools both accelerates the process and produces more accurate solutions. In this work much attention was given to the role of the scientist user. During the research, Nimrod/K (on which Nimrod/OK is built) was extended to shield that user from technical details of the grid infrastructure, a new system of file management and grid abstraction has been incorporated. |
Year | DOI | Venue |
|---|---|---|
2010 | 10.1109/eScience.2010.38 | e-Science |
Keywords | Field | DocType |
advanced numerical simulation,advanced e-science software tool,grid abstraction,electrochemical parameter optimization,ok tool,scientific workflows,accurate solution,scientist user,grid infrastructure,oxford universities,e-science tool,ad-hoc manual process,harmonic analysis,numerical simulation,electrochemistry,kepler,computational modeling,middleware,fourier transform,inverse problems,optimization,measurement,fourier transforms,grid computing,numerical analysis | Middleware,Nimrod,Data mining,Grid computing,Computer simulation,Computer science,e-Science,Software,Workflow,Grid,Distributed computing | Conference |
ISBN | Citations | PageRank |
978-0-7695-4290-4 | 3 | 0.37 |
References | Authors | |
12 | 9 | |
Name | Order | Citations | PageRank |
|---|---|---|---|
| Colin Enticott | 1 | 231 | 21.68 |
| Thomas Peachey | 2 | 3 | 0.37 |
| David Abramson | 3 | 3302 | 393.08 |
| Elena Mashkina | 4 | 3 | 0.37 |
| Chong-Yong Lee | 5 | 3 | 0.37 |
| Alan Bond | 6 | 21 | 5.07 |
| Gareth Kennedy | 7 | 7 | 1.95 |
| David Gavaghan | 8 | 213 | 30.44 |
| Darrell Elton | 9 | 4 | 1.06 |