Abstract
After a short survey of the general chemical context of the global cluster geometry optimization problem, several of its aspects are discussed, touching upon computational complexity, links to abinitio calculations and experiment, benchmark systems, and some of the solution methods applied so far. Our current method, a variant of the standard Genetic Algorithms, is presented, discussing several aspects crucial for its efficiency. Applications of this method to both benchmark and real-life examples of atomic and molecular clusters are shown, including Lennard-Jones clusters and pure and mixed water clusters.
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