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Using the uncertainty principle to design simple interactions for targeted self-assembly

Erik Edlund (Institutionen för energi och miljö, Fysisk resursteori ; SuMo Biomaterials) ; Oskar Lindgren (Institutionen för energi och miljö, Fysisk resursteori ; SuMo Biomaterials) ; Martin Nilsson Jacobi (Institutionen för energi och miljö, Fysisk resursteori)
Journal of Chemical Physics (0021-9606). Vol. 139 (2013), 2, p. 024107.
[Artikel, refereegranskad vetenskaplig]

We present a method that systematically simplifies isotropic interactions designed for targeted self-assembly. The uncertainty principle is used to show that an optimal simplification is achieved by a combination of heat kernel smoothing and Gaussian screening of the interaction potential in real and reciprocal space. We use this method to analytically design isotropic interactions for self-assembly of complex lattices and of materials with functional properties. The derived interactions are simple enough to narrow the gap between theory and experimental implementation of theory based designed self-assembling materials.

Denna post skapades 2013-08-23. Senast ändrad 2016-03-31.
CPL Pubid: 182057


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Institutioner (Chalmers)

Institutionen för energi och miljö, Fysisk resursteori (2005-2017)
SuMo Biomaterials



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