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SimplexPro was constructed for optimizing the numerical parameters of chemical experiments such as temperature, pressure, concentration, and flow rate to achieve the best result (objective function) e.g. conversion, yield or selectivity. The numerical values of the reaction parameters are input into the software along with the results. The Simplex will then calculate another set of parameters that will yield a better result.
The software implements the widespread Nelder-Mead (or Downhill Simplex) algorithm. Based on experiments performed at Thalesnano, by using this method the number of optimization experiments can be significantly decreased.
The operation of the algorithm is a simple 2 step process and is performed as follows:
The advantage of this method over others is that after performing the initial measurements the Simplex converges to an optimum faster, so the optimum value of the objective function can be found by making only a few experiments. If the values of objective function differ only slightly after 2-3 consecutive experiments, then it can be presumed that the nearly optimal parameter settings have been found.
Features at a Glance
Simplex Pro is operating under Windows computing platform.
If you need more information about our product, please e-mail CompuDrug International at email@example.com