Lorentz Center - Modeling natural and artificial photosynthesis from 7 Mar 2011 through 11 Mar 2011
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    Modeling natural and artificial photosynthesis
    from 7 Mar 2011 through 11 Mar 2011

 

Program

 

Registration 3rd floor Oort building (participants’ offices and common room)

Lectures/talks are in room 201 of the Huygens building (connecting bridge with Oort building).

 

Discussion: to stimulate cross-disciplinary fertilization, for each 40 minute lecture a 20 minute discussion will be led by a participant from another area than the speaker, these discussion leaders will have prior access to the presentations of the lecturers to prepare for the discussions

 

Poster session (**): posters can be put up in the corridor of the Lorentz Center during the workshop. Young scientists are encouraged to bring a poster and discuss their results.

 

Lunch: in the Gorlaeus Restaurant. Open until 13:30 hrs but we advise to come no later than 12:45 hrs, after which there is not much choice left

 

 

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Monday March 7, 2011

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09:00 – 10:00           Arrival and registration with coffee

10:00 – 10:15           Welcome by Lorentz Center manager Mieke Schutte

10:15 – 10:20           Welcome by scientific organizers

 

Introduction to techniques used to model photosynthesis

10:20 – 11:00           Thomas Renger: Dynamical Theory and Calculation of Parameters

                                    of Light-Harvesting 

11:00 – 11:20           Questions/discussion

11:20 – 12:00           Johannes Messinger: Current perceptions of the structure,

                                    function and design principles of the water-splitting machinery in

                                    photosynthesis

                                   

12:00 – 12:30           Questions/discussion

 

12:30 – 14:00           Lunchbreak @ Gorlaeus Restaurant

 

Challenges in contructing artificial systems

14:30 – 15:10           Leslie Dutton: Prospects for natural photochemistry in man-made

                                    proteins         

15:10 – 15:30           Guided discussion (de Groot)

15:30 – 16:00           Coffee/tea break in the common room   

16:00 – 17:00           Poster presentations**

                                   

17:00 – 18:00           Wine & Cheese party in the common room

 

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Tuesday March 8, 2011

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Light harvesting

Chair: Johannes Messinger

09:00 – 09:40           Ivo van Stokkum: Global and target analysis of energy transfer and

                                    quenching in the thylakoid membrane   

09:40 – 10:00           Discussion

10:00 – 10:30           Coffee/tea break in the common room

10:30 – 11:10           Johannes Neugebauer: First-Principles Calculations of Excited

                                    States and Electronic Spectra of Protein-Pigment Aggregates

11:10 – 11:30           Discussion

 

11:30 – 13:00           Lunch break @ Gorlaeus restaurant

 

13:00 – 14:30           Individual in depth discussions and space for ad-hoc discussion groups

 

Exciton dynamics

Chair: Joost Vandevondele

14:30 – 15:10           Jasper Knoester: Exciton localization and dynamics in linear and

                                    tubular J-aggregates           

15:10 – 15:30           Discussion

15:30 – 16:00           Coffee/tea break in the common room

16:00 – 16:40           David Coker: Quantum Simulation of Environmental Effects on

                                    Excitation Energy Transfer in Photosynthetic Light Harvesting and

                                    Reaction Center Systems

16:40 – 17:00           Discussion*

 

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Wednesday March 9, 2011

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Efficient description of structure and dynamics

Chair: Johannes Neugebauer

09:00 – 09:40           Joost Vandevondele: With new simulation tools towards a

                                    comprehensive picture of the active interface in dye sensitized solar cells 

09:40 – 10:00           Discussion

10:00 – 10:30           Coffee/tea break in the common room

10:30 – 11:10           Marialore Sulpizi: Acidity constants and NHE potentials from DFT-

                                    based MD simulations

11:10 – 11:30           Discussion

 

 

12:00 – 14:30           Lunchbreak @ Gorlaeus Restaurant

                                    Individual in depth discussions and space for ad-hoc discussion

                                    groups

 

Water oxidation and multi electron catalysis

Chair: Per Siegbahn

14:00 – 14:40           Victor Batista: Studies of Oxomanganese Complexes for Natural

                                    and Artificial Photosynthesis

14:40 – 15:00           Discussion

15:00 – 15:30           Coffee/tea break in the common room   

15:30 – 16:10           Jan Rossmeisl: OER and ORR on surfaces

16:10 – 16:30           Discussion

16:30 – 17:00           Round table discussion (Van Grondelle discussion leader)

 

17:30 – 18:00           Bus transfer to boat at old harbor down town Leiden

18:00 – 22:00           Workshop Dinner @ the Olympia, Groene Hart Cruises

                                    For menu click here.

22:00 - 22:30            Bus transfer from Zijldijk nr.30 to Leiden Central station, Lorentz

                                    Center and Hotel Leiden Van der Valk

                                   

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Thursday March 10, 2011

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Modeling multi-nuclear transition metal complexes

Chair: Victor Batista

09:00 – 09:40           Laura Gagliardi: Modeling Ruthenium catalysts for water splitting  

09:40 – 10:00           Discussion

10:00 – 10:30           Coffee/tea break in the common room

10:30 – 11:10           Margareta Blomberg: Proton coupled electron transfer in cell

                                    respiration - oxygen reduction and proton pumping    

11:10 – 11:30           Discussion

 

11:30 – 13:00           Lunchbreak @ Gorlaeus Restaurant

 

13:00 – 14:30           Individual in depth discussions and space for ad-hoc discussion

                                    groups

 

Proton-coupled electron transfer

Chair: Laura Gagliardi

14:30 – 15:10           Alexander Soudackov: Theoretical modeling of the ultrafast

                                    photoinduced proton-coupled electron transfer reactions       

15:10 – 15:30           Discussion

15:30 – 16:00           Coffee/tea break in the common room

16:00 – 16:40           Carles Curutchet: Modeling Energy Transfer Parameters in

                                    Homogeneous and Heterogeneous Environments     

16:40 – 17:00           Discussion

 

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Friday March 11, 2011

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Future challenges and open questions

Chair: David Coker

09:00 – 09:40           Robert Silbey: Theoretical Studies of Efficient Energy Transfer in

                                    Light Harvesting Systems  

09:40 – 10:00           Discussion

10:00 – 10:30           Coffee/tea break in the common room

10:30 – 11:10           Per Siegbahn: Comparison of natural and artificial water oxidation

11:10 – 11:30           Discussion

11:30 – 12:10           Predictive modeling strategies, format tbd          

 

12:30 – 13:30           Lunchbreak @ Gorlaeus Restaurant

                                   

Modeling in TBSC

13:30 – 14:30           Panel discussion, structuring collaborations in the TBSC

                                    community: Kennis/Van Grondelle/De Groot/Buda/Visscher

14:30 – 15:00           Tea and Farewell

 

 

===end of workhop===



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