Lorentz Center - Poly and Polymer Electrolytes for Energy Conversion: Ab Initio, Molecular, and Continuum Models from 23 Aug 2010 through 27 Aug 2010
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    Poly and Polymer Electrolytes for Energy Conversion: Ab Initio, Molecular, and Continuum Models
    from 23 Aug 2010 through 27 Aug 2010

 

Scientific Report

 

The interaction of charged polymers with solvent leads to rich classes of materials with important properties, most specifically selective charge transport.  The workshop was comprised of 23 talks, 3 tutorials, and 2 discussion sections. The participants hailed broadly from computational polymer science and applied mathematics, two groups which historically had not interacted in a formal arena. The goal of the workshop was to stimulate exchange between the Ab initio and molecular model builders and the more recent continuum models, and as measured by the energy level of the discussion the workshop has to be considered a great success.

 

The effort was put on an excellent first footing by Marcus Mueller’s talk, which described a novel method for up-scaling of coarse-grained MD simulations to continuum models. The ensuing speakers set off a very lively discussion that ranged broadly over the fields of energy conversion, polymer simulation, and up-scaling. The tutorials on self-consistent mean field theory, given by David Wang and Carlos Garcia-Cerva, and on Renormalization group techniques by Dmitry Vvedensky where very well received.  It was widely acknowledged that the interaction between the computational polymer and applied mathematics groups was both stimulating and long over-due.

 

The rental of the bikes from the Lorentz center was a huge hit, and one could see the bikes around downtown Leiden in the evenings. The boat cruise along the Kaaglakes was a huge success, serving to further cement the relationships built between these groups.

 

Arjen Doelman (Leiden, the Netherlands)

Stephen Paddison (Knoxville, USA)

Keith Promislow (East Lansing, USA)

 



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