First Annual NBIA Meeting on ESS Science

Europe/Copenhagen
The Niels Bohr International Academy

The Niels Bohr International Academy

Blegdamsvej 17 2100 København Ø Denmark
Description
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
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proceedings
Participants
  • Anders Irbäck
  • Annett Schroeter
  • Beat Meier
  • Benjamin Lindner
  • Benson K. Money
  • Brian Møller Andersen
  • Claire White
  • Dimitri Argyriou
  • Donald Engelman
  • Esperanza Pavon
  • Gerd Buntkowsky
  • Giuseppe La Rosa
  • Guo Chen
  • Heloisa Bordallo
  • Herman Berendsen
  • Herve JOBIC
  • Humphrey Morhenn
  • Jan Swenson
  • Jernej Stare
  • Johannes Beil
  • Jozica Dolenc
  • Juergen Eckert
  • Katja Dittmann
  • Kerstin Kämpf
  • Khalid Hassan Elhadi Elamin
  • Kim Rasmussen
  • Kristine Niss
  • Lee Iverson
  • Leo van Wüllen
  • Mads Beich-Frandsen
  • Margarita Krutyeva
  • Maria Grazia Izzo
  • mark johnson
  • Michael Vogel
  • Mireia Subinyà Albrich
  • Neal Skipper
  • Niels Grønbech-Jensen
  • Paulo Tarso Freire
  • Per Linse
  • Peter Schurtenberger
  • SABRINA SARTORI
  • Samuli Ollila
  • sebastien rives
  • Shina Caroline Lynn Kamerlin
  • Stefan Wallin
  • Thomas Noerskov Nielsen
  • Thomas Rod
  • Tomas Stankevic
  • Tuerdi Maimaitiyili
  • Valeria Arrighi
  • Valeria Conti Nibali
    • 08:00 09:00
      Registration 1h
    • 09:00 09:15
      Opening Remarks 15m
    • 09:15 10:30
      The eternal truths of physics - Herman J.C. Berendsen (Emeritus Professor of Physical Chemistry, University of Groningen) 1h 15m
    • 10:30 11:15
      Coffee break 45m
    • 11:15 12:30
      Introduction to neutron scattering spectroscopy - Mark Johnson (Institut Laue-Langevin) 1h 15m
    • 12:30 14:00
      Lunch 1h 30m
    • 14:00 14:45
      Neutron scattering and computer simulation studies of aromatic liquids - Neal Skipper (UCL) 45m
    • 14:45 16:00
      Classic Molecular Dynamics and NMR - Michael Vogel (Technische Universität Darmstadt) 1h 15m
    • 16:00 16:30
      Coffee break 30m
    • 16:30 18:00
      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 1h 30m
    • 09:00 10:30
      Biomolecular structure refinement by complementing solution NMR spectroscopy with molecular dynamics simulations - Jozica Dolenc (ETH) NOTE: This lecture is followed by hands on exercises 1h 30m
    • 10:00 10:30
      Guided tour of the Niels Bohr Building
    • 10:30 11:15
      Probing transition states: Insights from NMR, crystal structure determination and simulations - Lynn Kamerlin (Uppsala University) 45m
    • 11:15 11:45
      Coffee break 30m
    • 11:45 13:00
      The ever-expanding role of NMR spectroscopies - Beat Meier (ETH) 1h 15m
    • 13:00 14:30
      Lunch 1h 30m
    • 14:30 18:30
      Panel discussion on applications of NS, NMR and MD in modern life sponsored by the Oresund Materials Innovation Community 4h
    • 14:30 18:30
      Students chose project, hands on data analysis (includes a coffee break)
    • 18:30 21:30
      Boat tour & Dinner sponsored by the Oresund Materials Innovation Community 3h
    • 09:00 09:45
      ESS Science: Opportunities & Ideas - Dimitri Argyriou (ESS Lund) 45m
    • 09:45 11:00
      Inelastic Neutron Scattering: Perpectives - Juergen Eckert (UCSB) 1h 15m
    • 11:00 11:30
      Coffee break 30m
    • 11:30 12:45
      Comparison of QENS and PFG NMR techniques to probe diffusion in nanoporous materials - Herve Jobic (IRCELYON) 1h 15m
    • 12:45 14:00
      Lunch 1h 15m
    • 14:00 16:00
      Parallel Discussion on ESS Science 2h
    • 14:00 16:00
      Student Working Groups
    • 16:00 16:45
      Hydration water in biological systems - Jan Swenson (Chalmers University of Technology) 45m
    • 16:45 17:30
      Cold neutrons are cool enough to help us getting home faster - Heloisa N. Bordallo (Niels Bohr Institute) 45m
    • 17:30 19:30
      Posters & Snacks 2h
    • 09:00 10:45
      Student presentations on their results - 4 Groups of Students (20 minutes each group) 1h 45m
    • 10:45 11:15
      Posters & Coffee break 30m
    • 11:15 12:15
      Structural and dynamic properties of dense particle suspensions: Insight from neutron spin echo and molecular dynamics simulations - Peter Schurtenberger (Lund University) 1h
    • 12:15 13:00
      Molecular Dynamics revealed by Solid State NMR - Gerd Buntkowsky (Technische Universität Darmstadt) 45m
    • 13:00 14:15
      Lunch 1h 15m
    • 14:15 20:15
      Excursion & Conference dinner sponsored by the Helmholtz-Zentrum Berlin. 6h
    • 09:00 09:45
      Polymer Dynamics across Tg using QENS - Valeria Arrighi (Heriot-Watt University) 45m
    • 09:45 11:00
      Dynamics in solids studied by NMR spectroscopy - Leo van Wüllen (Universität Münster) 1h 15m
    • 11:00 11:30
      Posters & Coffee break 30m
    • 11:30 12:45
      You never know where it will go: a pathway from bilayers to membranes to targeting tumors - Donald M. Engelman (Yale University) 1h 15m
    • 12:45 14:00
      Lunch and Good bye 1h 15m