A Stochastic Tunneling Approach for Global Minimization of Complex Potential Energy Landscapes

Details A Stochastic Tunneling Approach for Global Minimization of Complex Potential Energy Landscapes A Stochastic Tunneling Approach for Global Minimization of Complex Potential Energy Landscapes

1999-03-04

arxiv.org/abs/physics/9903008v1

Phys. Rev. Lett. 82(1999)3003-3007

Physics

Computational Physics

accepted for Publication in Phys. Rev. Lett. 5 pages, 2 figures

Scientific paper

10.1103/PhysRevLett.82.3003

We investigate a novel stochastic technique for the global optimization of complex potential energy surfaces (PES) that avoids the freezing problem of simulated annealing by allowing the dynamical process to tunnel energetically inaccessible regions of the PES by way of a dynamically adjusted nonlinear transformation of the original PES. We demonstrate the success of this approach, which is characterized by a single adjustable parameter, for three generic hard minimization problems.

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