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

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

2004-02-04

arxiv.org/abs/cond-mat/0402136v1

Physics

Condensed Matter

Materials Science

Scientific paper

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 as possible and of avoiding revisiting known parts of this space. Even though it is not a genetic algorithm, it is not based on thermodynamics. The efficiency of the method depends strongly on the type of moves that are used to hop into new local minima. Moves that find low-barrier escape-paths out of the present minimum lead generally into low energy minima.

Affiliated with

Also associated with

No associations

Rating

Minima hopping: Searching for the global minimum of the potential energy surface of complex molecular systems without invoking thermodynamics does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Minima hopping: Searching for the global minimum of the potential energy surface of complex molecular systems without invoking thermodynamics, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Minima hopping: Searching for the global minimum of the potential energy surface of complex molecular systems without invoking thermodynamics will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-565111