dorsal/arxiv
View SchemaGlobal Optimization on an Evolving Energy Landscape
| Authors | J. S. Hunjan, S. Sarkar, R. Ramaswamy |
|---|---|
| Categories | |
| ArXiv ID | physics/0209046 |
| URL | https://arxiv.org/abs/physics/0209046 |
| DOI | 10.1103/PhysRevE.66.046704 |
Abstract
Locating the global minimum of a complex potential energy surface is facilitated by considering a homotopy, namely a family of surfaces that interpolate continuously from an arbitrary initial potential to the system under consideration. Different strategies can be used to follow the evolving minima. It is possible to enhance the probability of locating the global minimum through a heuristic choice of interpolation schemes and parameters, and the continuously evolving potential landscape reduces the probability of trapping in local minima. In application to a model problem, finding the ground--state configuration and energy of rare--gas (Lennard--Jones) atomic clusters, we demonstrate the utility and efficacy of this method.
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"abstract": "Locating the global minimum of a complex potential energy surface is\nfacilitated by considering a homotopy, namely a family of surfaces that\ninterpolate continuously from an arbitrary initial potential to the system\nunder consideration. Different strategies can be used to follow the evolving\nminima. It is possible to enhance the probability of locating the global\nminimum through a heuristic choice of interpolation schemes and parameters, and\nthe continuously evolving potential landscape reduces the probability of\ntrapping in local minima. In application to a model problem, finding the\nground--state configuration and energy of rare--gas (Lennard--Jones) atomic\nclusters, we demonstrate the utility and efficacy of this method.",
"arxiv_id": "physics/0209046",
"authors": [
"J. S. Hunjan",
"S. Sarkar",
"R. Ramaswamy"
],
"categories": [
"physics.comp-ph",
"physics.atm-clus"
],
"doi": "10.1103/PhysRevE.66.046704",
"title": "Global Optimization on an Evolving Energy Landscape",
"url": "https://arxiv.org/abs/physics/0209046"
},
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