LAKASABrowsing by Author "Ofilada, Jerry E."

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Global minimization of lennard-jones potential
(Don Mariano Marcos Memorial State University - South La Union Campus, 2019-05) Soquila, Jackylou M.; Buentipo, Janina Joy C.; Ofilada, Jerry E.; Quiñones, Christian C.
This study focused on finding a method that obtains the global minimum of the Lennard-.lones potential junction. Existing numerical methods are applied to the jimction and compared in terms of its convergence. Also, a new global minimization approach specifically for the LJ potential function was proposed and was implemented through programming in MA TUB. Six existing methods u'ere discussed and applied to the function to come up with observations that lead to theformulation of a new minimization approach specific for the LJ potential function. An algorithm was created and implemented in MA TLAB to aide in the computations.