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Thermodynamics of global optimization

Abstract:

Theoretical design of global optimization algorithms can profitably utilize recent statistical mechanical treatments of potential energy surfaces (PES's). Here we analyze a particular method to explain its success in locating global minima on surfaces with a multiple-funnel structure, where trapping in local minima with different morphologies is expected. We find that a key factor in overcoming trapping is the transformation applied to the PES which broadens the thermodynamic transitions. The...

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Publication status:
Published

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Publisher copy:
10.1103/PhysRevLett.80.1357

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Institution:
University of Oxford
Department:
Oxford, MPLS, Chemistry, Physical and Theoretical Chem
Role:
Author
Journal:
PHYSICAL REVIEW LETTERS
Volume:
80
Issue:
7
Pages:
1357-1360
Publication date:
1998-02-16
DOI:
EISSN:
1079-7114
ISSN:
0031-9007
URN:
uuid:99b826d5-1bb6-47de-b224-dbadf8c1fd6f
Source identifiers:
36433
Local pid:
pubs:36433
Language:
English

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