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There is a need for future research to address the gap between the force field designers and the energy landscapes community. Success in the application of many methods discussed in this thesis is contingent on the potential energy function being continuous and well-defined. Some of the most promising potential energy functions developed recently can only be used with methods described here after serious modifications.

Ultimately, our ability to make valid predictions about the properties of any system is limited by the accuracy of the force field. It is thus hoped that more research will be performed in the direction of the development of realistic, cheap and friendly force fields.

Semen A Trygubenko 2006-04-10