[MLC] Molecular organizations in the bulk and close to surfaces

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Speaker(s)	Claudio Zannoni Università di Bologna
Date	7 May 2013 – 12:00 to 13:00
Venue	INI Seminar Room 1
Session Title	Molecular organizations in the bulk and close to surfaces
Event	[MLC] The mathematics of liquid crystals
Abstract	Computer simulations (Monte Carlo and Molecular Dynamics) provide a powerful tool for obtaining molecular organizations starting from microscopic interactions. These interactions could be generic and very simple (based on arbitrarily chosen shapes and attraction laws) or realistic, atomistic, based on quantum mechanically generated representations of the constituent molecules. In all cases simulations provide the equivalent of computer experiments that offer terms of comparison for mathematical theories, with a level of detail and of possibilities for virtual experiments (e.g. the switching on and off of some of the interactions) not available in real life. A number of examples will be shown for liquid crystal systems in the bulk and close to interfaces, where recent results hint that the type of boundary conditions currently used in some mathematical theories may have to be extended.

Molecular organizations in the bulk and close to surfaces

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