Large-Scale Free Energy Calculations as Showcase of Worldwide Grid Usability
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| Year of publication | 2009 |
| Type | Conference abstract |
| MU Faculty or unit | |
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| Description | In biochemical or chemical disciplines, the free energy forms a basis for the assessment of theoretical models towards experimental data. Unfortunately, its calculation is still very time consuming task. Recently, we have implemented and tested the multiple walker approach, which significantly accelerates such kind of calculations, in a cluster environment. Since this approach requires only small communication overhead, we would like to extend and test it in a grid environment too. |
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