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Global optimization of morse clusters by potential energy transformations

Abstract:

The Morse potential is a simple model for the potential energy of atoms with a single parameter ρ that determines the width of the potential well and allows a wide variety of materials to be modeled. Morse clusters are particularly important for applications, but their global optimization is also an extremely hard problem, highly relevant to methods that are to be applied to find the optimal configuration of a biomolecule. In particular, large ρ values are very challenging and, until now, no ...

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Publication status:
Published

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Publisher copy:
10.1287/ijoc.1040.0084

Authors


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Institution:
University of Oxford
Department:
Oxford, MPLS, Chemistry, Physical and Theoretical Chem
Locatelli, M More by this author
Journal:
INFORMS JOURNAL ON COMPUTING
Volume:
16
Issue:
4
Pages:
371-379
Publication date:
2004
DOI:
EISSN:
1526-5528
ISSN:
1091-9856
URN:
uuid:49ad6bdc-106d-4abe-a99b-61737891bdf1
Source identifiers:
39232
Local pid:
pubs:39232

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