Minimum energy path of a potential energy surface
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I have calculated the energies of a molecule by varying two parameters (Data points are here data). I want to find the minimum energy path from the point (180.0, 179.99, 21.132) to (124.5, 124.49, 0) using Mathematica.
differential-equations mathematical-optimization chemistry
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edited 19 hours ago
Henrik Schumacher
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asked 21 hours ago
sravankumar perumalla sravankumar perumalla
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