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Showing 1 to 1 of 1 for “"Nelder-Mead method"”.
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Fitting Interatomic Potentials to Reproduce Phase Transitions
… melting curve using my own implementation of the Nelder-Mead algorithm. The Ti potential is modified to predict a triple point which is in qualitative agreement with experimental predictions. To calculate phase transitions, I use the nested sampling algorithm which was already established in the …