Taboo search method

Metadynamics was originally introduced as a coarse dynamics in collective variable space, much in the spirit of Ref. 39. This dynamics was then accelerated by adding a penalty to the already visited states, similarly to the taboo search method" and the local elevation method." Later, a version based on an extended Lagrangian formalism was introduced. Presently, the most adopted variant is the continuous one. In this chapter, we will only focus on this latter version. 

The methods of simulated annealing (26), genetic algorithms (27), and taboo search (29) are three of the most popular stochastic optimization techniques, inspired by ideas from statistical mechanics, theory of evolutionary biology, and operations research, respectively. They are applicable to our current problem and have been used by researchers for computational library design. Because SA is employed in this chapter, a more-detailed description of the (generalized) SA is given below. 

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