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most citedMinima hopping: Searching for the global minimum of the potential energy surface of complex molecular systems without invoking thermodynamics

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cond-mat.mtrl-sci2004★ 2 cited

Minima hopping: Searching for the global minimum of the potential energy surface of complex molecular systems without invoking thermodynamics

Stefan Goedecker

A method is presented that can find the global minimum of very complex condensed matter systems. It is based on the simple principle of exploring the configurational space as fast…