Lorentz Center - Challenges in Modelling the Reaction Chemistry of Interstellar Dust from 19 Sep 2011 through 23 Sep 2011
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    Challenges in Modelling the Reaction Chemistry of Interstellar Dust
    from 19 Sep 2011 through 23 Sep 2011

 
Preliminary Program

Preliminary Program

 

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Monday 19 September 2011

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Experiments and Observations - Background

 

09:00 10.00 Welcome and Coffee

10:00 10:15 Introduction by the manager of Lorentz Center Mieke Schutte

10:15 10.30 Introduction by the workshop organizers

Session chair McCoustra

10:30 11:15 Jones: A complicated plot: The evolution of dust in the ISM - a

matter of substance, size and surface

11:15 12:00 Waters: Nature and composition of interstellar dust

 

12:00 13:30 Lunchbreak @ Gorlaeus Restaurant, and Informal Discussions

 

13:30 14:15 Brown: Experimental investigations of the desorption and thermal

processing of interstellar ices

14:15 15:00 Linnartz: Pathways towards Molecular Complexity in Space - the

solid state laboratory approach

15:00 15:30 Coffee/tea break

15:30 16:15 van Dishoeck: Direct and indirect observations of interstellar ices

and ice chemistry

16:15 16:45 Discussion leader Fraser: Discussion Experiments and Observations

16:45 17:00 Flash presentations

17.00 Wine and Cheese party; poster session

 

 

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Tuesday 20 September 2011

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Clusters and Ices

Session chair Bromley

09:00 09.45 Woodley: Predicting the structures of ternary oxide nano-clusters

09:45 10:30 Spiegelman: Modelling structural, spectroscopic and dynamical

properties of PAH complexes and clusters

10:30 11:00 Coffee/tea break

11:00 11:20 Bilalbegovic: Optical spectra of hydrogenated PAH related nanoparticles

11:20 12:05 Ojamae: Water clusters, ices and methane clathrates studied by

quantum-chemical computations

 

12:05 14:30 Lunchbreak @ Gorlaeus Restaurant, and Informal Discussions

 

14:30 15:15 Loerting: Amorphous Solid Water: Experimental Studies

15:15 15:45 Coffee/tea break

15:45 16:30 Wang: Water on surfaces: From cluster to overlayer

16:30 17:00 Discussion Leader Jones: Discussion Clusters and Ices

 

 

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Wednesday 21 September 2011

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Surface Reactivity

Session chair Cazaux

09:00 09.45 Ugliengo: Ab initio modeling of the adsorption at silica surfaces

09:45 10:30 Rimola: Theoretical simulations on interstellar synthesis of glycine:

neutral vs radical mechanisms on water ice dust particles

10:30 11:00 Coffee/tea break

11:00 11:20 Arasa: Molecular dynamics simulations of CO2 formation in

interstellar ices

11:20 11:40 Drake-Wilhelm: Investigation of Photodissociation in Porous

Amorphous Water Ice via MD

 

11:40 14:30 Lunchbreak @ Gorlaeus Restaurant, and Informal Discussions

 

14:30 15:15 Hartke: Towards fast simulations of chemical reactions in large

systems: Generating reactive force-fields with global parameter

optimization

15:15 16:00 Michaelides: Quantum Nuclear Effects at Surfaces

16:00 16:30 Discussion Leader Andersson: Discussion Surface Reactivity

17:00 Departure for workshop dinner @ Beach Restaurant Zeester in

Katwijk (see menu)

 

 

 

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Thursday 22 September 2011

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Dynamics at Surfaces

Session chair Slater

09:00 09.45 Andersson: Tunneling in low-temperature surface reactions

09:45 10:30 Sidis: Interactions and reactions of H (and O) atoms on graphenic surfaces: H2 (and OH) molecule formation on carbonaceous interstellar dust grains

10:30 11:00 Coffee/tea break

11:00 11:20 Irving: Quantum dynamics studies of H atom recombination via an

Eley Rideal mechanism

11:20 11:40 Martinazzo: Interaction of hydrogen atoms with carbon-sp2

structures: adsorption energetics and Eley-Rideal dynamics

 

11:40 14:30 Lunchbreak @ Gorlaeus Restaurant, and Informal Discussions

 

14:30 15:15 Hornekaer: Atomic hydrogen interaction with polycyclic aromatic

carbon systems - from graphene to PAHs

15:15 16:00 Pedersen: Towards long time scale simulations of ice using the

adaptive kinetic Monte Carlo method

16:00 16:30 Coffee/tea break

16:30 17:15 Cazaux: The memories of interstellar ices: deuterium as a witness

of star formation

17:15 17:45 Discussion Leader Brown: Discussion Dynamics at Surfaces

 

 

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Friday 23 September 2011

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Astrochemical Models of Reaction Chemistry and Wrap-Up

Session chair Goumans

09:00 09:45 Garrod: Advances in hot-core chemical models: bridging the gap

between theory, experiment and observations

09:45 10:30 Kamp: Astrochemical models of protoplanetary disks: cosmic rays,

ices, and surface chemistry

10:30 11:00 Coffee/tea break

11:00 11:20 Walsh: The Gas-Grain Connection in Protoplanetary Disks

11:20 11:40 Roueff: Formaldehyde in the Horsehead PDR: a signature of

photodesorption of dust grain ice mantles

 

11:40 12:30 Lunchbreak @ Gorlaeus Restaurant, and Informal Discussions

 

12:30 13:00 Herbst: meeting summary

13:00 14:00 Discussion Leader Herbst, Panel Discussion and Wrap-Up

14:00 Coffee/tea break and Goodbye

 

 

 

===end of workshop===



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