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

 

Program

 

All talks take place in room 201 of the Huygens building.

 

Talks are including 10 to 15 minutes discussion time

Directed discussion = organized, in room 201

Informal discussion = spontaneous, not organized

Poster session = posters can be put up in the corridor (room for 35 posters)

 

Link to abstracts

 

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Monday 23 August 2010

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09:30 - 10:00        Office assignment and coffee

 

10:00 - 10:15        Welcome Remarks

10:15 - 11:00        Overview Talk: Keith Promislow

11:00 - 12:00        Marcus Mueller: Structure formation in multicomponent polymer materials:

                               soft, coarse-grained models

 

12:00 - 13:30        Lunchbreak@Huygens Restaurant

 

13:30 - 14:30        J.C. Hummelen (Fabrication of BHJ solar cells)

14:30 - 15:00        Coffee/tea break

15:00 - 16:00        Alison Walker: Multiscale modelling of excitonic solar cells

16:00 - 16:30        Directed discussion (Arjen Doelman)

16:30 - 17:00        6 Junior participants, 5 minutes talks

 

17:00 - 19:00        Wine & Cheese party in the Common room

                               Poster session

 

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Tuesday 24 August 2010

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09:00 - 10:00        Kurt Kremer: Organic Materials for Molecular Electronics: Scale Bridging

                               Simulation Approach

10:00 - 10:30        Coffee/tea break

10:30 - 11:15        Carme Calderer: Gels: mechanis and chemistry

11:15 - 12:00        David Wang: Numerical Modeling of Polyelectrolyte Adsorption and Layer-

                               by-Layer Assembly

 

12:00 - 13:30        Lunchbreak@Huygens Restaurant

 

13:30 - 15:00        Informal Tutorial on SCFT by Wang/Garcia-Cervera

                               Numerical advances in Self-Consistent Field Theory simulations, and

                               applications to block copolymer lithography

 

15:00 - 16:00        Jim McCusker: The Science of Solar Energy Conversion: Fundamental

                               Issues and Global Applications

16:00 - 16:30        Directed Discussion (K. Promislow)

 

 

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Wednesday 25 August 2010

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09:00 - 10:00        Stephen Paddison: Connecting the structure and transport properties of

                               polymer electrolyte membranes through modeling and experiments

10:00 - 10:30        Coffee/tea break

10:30 - 11:15        James Elliott: A unified morphological description of Nafion membranes

                               from SAXS and mesoscale simulations

11:15 - 12:00        Vincent Meunier: Modeling of carbon nanostructures for capacitive energy

                               storage

 

12:00 - 14:00        Lunchbreak@Huygens Restaurant and informal discussions

 

14:00 - 14:45        David Andelman: Block Copolymers at Surfaces: Patterns, Templates and

                               Electric Fields

14:45 - 15:30        Martin Muser: Split charge equilibration: A charge transfer method for

                               electrolytes and other non-metallic materials

15:30 - 16:00        Coffee/tea break

16:00 - 16:45        Christian Holm: Investigating Polyelectrolyte Multilayers (PEMs) via

                               Simulations

 

16:45 - 17:00        Bus transfer to harbor, downtown Leiden

 

17:00 - 21:00        Boat trip@Kaaglakes with dinner on board

                               Transport to harbor: see info link boat trip above.

                               Sign up here

 

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Thursday 26 August 2010

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09:00 - 10:00        Hans Fraaije: Stogastic quasi-Newton method for molecular simulations

10:00 - 10:30        Coffee/tea break

10:30 - 11:15        Carlos Garcia-Cervera: A Linear Scaling Subspace Iteration Algorithm with

                               Optimally Localized Non-Orthogonal Wave Functions for Kohn-Sham

                               Density Functional Theory

11:15 - 12:00        Nico van der Vegt: Systematic coarse-graining of molecular models:

                               simple-yet-specific models for polymers and polyelectrolytes

 

12:00 - 13:30        Lunchbreak@Huygens Restaurant & Informal discussions

 

13:30 - 15:00        Informal Tutorial on RG theory Vvedensky

15:00 - 16:00        John Strain: Moving interfaces and elliptic systems

16:00 - 16:45        Chris Budd: Emergent scaling laws in dielectric materials

16:45 - 17:15        Coffee/tea break

17:15 - 17:45        Directed Discussion (S. Paddison)

 

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Friday 27 August 2010

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09:00 - 10:00        Dimitry Vvedensky: Coarse-Grained Theory of Surface Nanostructure

                               Formation

10:00 - 10:30        Coffee/tea break

10:30 - 11:15        Douwe Bonthuis: Electro-hydraulic Power Conversion in Water-filled

                               Nanochannels

11:15 - 12:00        Rolf Ryham: Energetic Variational Approaches in Modeling the Ionic Fluids

 

12:00 - 14:00        Lunchbreak@Huygens Restaurant

 

14:00 - 15:00        Closing Talk Marc Koper: Fuel cell catalysis in acidic and alkaline

                               electrolytes

 

=== end of workshop ===

 



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