Regensburg 2004 – wissenschaftliches Programm

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DY: Dynamik und Statistische Physik

DY 46: Poster

DY 46.57: Poster

Donnerstag, 11. März 2004, 16:00–18:00, Poster D

Ruin & Recreate – A Method to Overcome Barriers in the Energy Landscape — •Johannes J. Schneider — Department of Physics, Johannes Gutenberg University, Staudinger Weg 7, D-55122 Mainz

When simulating or optimizing a system with Monte Carlo techniques, usually the so-called Local Search approach is used in which an initial configuration is iteratively altered by small changes. Therefore, the application of such a small move leads to a new configuration in the neighborhood of the current configuration, which is quite similar to it. We showed in [1] that the application of larger moves leads to better results in shorter times than the classic Local Search concept. However, these larger moves we used did not lead to thermal equilibrium, such that they could only be used for optimization purposes but not for simulating a system at a given temperature. Now we have altered this approach, such that the moves lead to a Boltzmann equilibrium at each temperature. Moreover, as these larger moves change the configuration to a much larger extent than the small moves, we are able to overcome barriers in the energy landscape more easily. We will present computational results both for the classic Local Search and the new Ruin & Recreate approach for a colloidal system.

[1] G. Schrimpf, J. Schneider, H. Stamm-Wilbrandt, and G. Dueck, J. Comp. Phys. 159, 139, 2000.