First Annual NBIA Meeting on ESS Science

27 Jun 2011, 08:00 → 1 Jul 2011, 14:00 Europe/Copenhagen

The Niels Bohr International Academy

Objectives: The First NBIA Meeting on ESS Science initiates a series of annual workshops which bring together widely recognized experts to promote advanced training for young post-graduates, postdocs and researchers devoted to developing a practical approach to neutron scattering who have already some background in this domain and desire to learn complementary techniques as well as exchange their experience. The school is to be followed by a series of lectures where current research is presented and its impact largely discussed. The first meeting of this series will be devoted to the combined application of neutron scattering, NMR, and molecular dynamics simulations to the dynamics of molecules in condensed matter. The primary objective of this first school is to provide an understanding of current methodology in spectroscopic techniques applied to the dynamics of molecules in condensed phase systems. Each module will be introduced by a motivating talk, where scientific achievements are carefully explained, so that the students get a broader notion of the benefits of the technique that will be discussed. Basic information on data interpretation, on the complementary properties of the different types of techniques, as well as information on recent applications and developments will be given. The students will be given a small project and will be guided by the lecturers to a solution. The results from the students projects will be presented in a short oral section. In parallel with, and following the school a small but intensive scientific meeting will be held with ample time for discussions between experimentalists and theoreticians involved in neutron scattering, NMR and molecular dynamics simulations. This workshop is sponsored by the Niels Bohr International Academy, by the ESS Science Symposia and by the PhD School of the University of Copenhagen. There is no fee for the participants. The school is limited to 20 students to be selected from the applications received . Excursion and conference dinner at The Louisiana Museum of Modern Art, the most visited art museum in Denmark, will be sponsored by the Helmholtz-Zentrum Berlin. Organizers: Heloisa N. Bordallo (bordallo@fys.ku.dk), Juergen Eckert (juergen.eckert@mrl.ucsb.edu), Gerd Buntkowsky (Gerd.Buntkowsky@chemie.tu-darmstadt.de), Janez Mavri (janez.mavri@ki.si) and Klas Risveden (klas.risveden@fys.ku.dk). Local Support: Kim Lefmann (lefmann@fys.ku.dk), Lise Arleth (lia@life.ku.dk), Gitte Michelsen (gittem@fys.ku.dk) and Helle Kiilerich (helle@nbi.dk). The meeting is part of the Øresund Materials Innovation Community Program. http://www.interreg-oks.eu/se/Menu/Projektfaser/Genomförande/EU-+og+program

more information MOLARIS_Compendium.pdf

pictures Picture1.jpg Picture2.jpg

proceedings Abstract_Book.pdf

Monday, 27 June

1 Registration

2 Opening Remarks

3 The eternal truths of physics - Herman J.C. Berendsen (Emeritus Professor of Physical Chemistry, University of Groningen)

4 Coffee break

5 Introduction to neutron scattering spectroscopy - Mark Johnson (Institut Laue-Langevin)

6 Lunch

7 Neutron scattering and computer simulation studies of aromatic liquids - Neal Skipper (UCL)

8 Classic Molecular Dynamics and NMR - Michael Vogel (Technische Universität Darmstadt)

9 Coffee break

10 Simulation of proton dynamics in a condensed phase: application to hydrated histamine and solid hydrogen-bonded ferroelectric material - Jernej Stare (National Institute of Chemistry) NOTE: This lecture is followed by hands on exercises

Tuesday, 28 June

11 Biomolecular structure refinement by complementing solution NMR spectroscopy with molecular dynamics simulations - Jozica Dolenc (ETH) NOTE: This lecture is followed by hands on exercises

Guided tour of the Niels Bohr Building

12 Probing transition states: Insights from NMR, crystal structure determination and simulations - Lynn Kamerlin (Uppsala University)

13 Coffee break

14 The ever-expanding role of NMR spectroscopies - Beat Meier (ETH)

15 Lunch

16 Panel discussion on applications of NS, NMR and MD in modern life sponsored by the Oresund Materials Innovation Community

Students chose project, hands on data analysis (includes a coffee break)

17 Boat tour & Dinner sponsored by the Oresund Materials Innovation Community

Wednesday, 29 June

18 ESS Science: Opportunities & Ideas - Dimitri Argyriou (ESS Lund)

19 Inelastic Neutron Scattering: Perpectives - Juergen Eckert (UCSB)

20 Coffee break

21 Comparison of QENS and PFG NMR techniques to probe diffusion in nanoporous materials - Herve Jobic (IRCELYON)

22 Lunch

23 Parallel Discussion on ESS Science

Student Working Groups

24 Hydration water in biological systems - Jan Swenson (Chalmers University of Technology)

25 Cold neutrons are cool enough to help us getting home faster - Heloisa N. Bordallo (Niels Bohr Institute)

26 Posters & Snacks

Thursday, 30 June

27 Student presentations on their results - 4 Groups of Students (20 minutes each group)

28 Posters & Coffee break

29 Structural and dynamic properties of dense particle suspensions: Insight from neutron spin echo and molecular dynamics simulations - Peter Schurtenberger (Lund University)

30 Molecular Dynamics revealed by Solid State NMR - Gerd Buntkowsky (Technische Universität Darmstadt)

31 Lunch

32 Excursion & Conference dinner sponsored by the Helmholtz-Zentrum Berlin.

Friday, 1 July

33 Polymer Dynamics across Tg using QENS - Valeria Arrighi (Heriot-Watt University)

34 Dynamics in solids studied by NMR spectroscopy - Leo van Wüllen (Universität Münster)

35 Posters & Coffee break

36 You never know where it will go: a pathway from bilayers to membranes to targeting tumors - Donald M. Engelman (Yale University)

37 Lunch and Good bye