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computational research of self-assembling systems

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Helix from anisotropic building blocks

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The following movie shows a straightforward energy minimisation from a sheet structure of a cluster with ellipsoidal building blocks interacting with the Paramonov-Yarilaki potential. On the energy landscape of this cluster, it is rather hard not to hit the global minimum straight away, when starting from a random structure and minimising it.

The self-assembled helix (global minimum of the 20-ellipsoid cluster) looks like this:

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Last Updated on Monday, 04 January 2010 23:15

Self-assembly of T=1 and T=3 icosahedral shells

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Last Updated on Monday, 04 January 2010 02:16