Second Annual Niels Bohr International Academy Workshop on Neutron Science : Bridging Elastic and Inelastic Scattering by means of Computational Studies and Analysis

Final Program

Program for the Second NBIA Meeting on Neutron Science June 25-29, 2012
(1) All participants can take part on the lectures, however only 20 will take part on the hand on exercises. (2) "ESS Science: Opportunities & Ideas" session is intended to give the participants an opportunity to discuss on what they think is most important to develop a good neutron facility, including instrumentation, sample preparation laboratories, software, hardware, etc.
Day/Time	Lecturer	Topic
Monday, 1st day
9:00 am – 9:30 am	Registration
9:30 am – 10:15 am	Welcome
10:15 am - 11:15 am	Don Engelman (Yale)	Dynamics at the molecular level in biological systems
11:15 am - 11:45 am	Coffee break
11:45 am - 12:30 pm	David Keen (RAL)	Reverse Monte Carlo (RMC) modelling of amorphous structure
12:45 pm - 2:00 pm	Lunch
2:00 pm - 2:45 pm	Matt Tucker (RAL)	RMCProfile: The local point of view of crystalline materials
2:45 pm - 3:30 pm	Heloisa N. Bordallo (NBI)	Application of incoherent inelastic neutron scattering in pharmaceutical analysis
3:30 pm - 4:00 pm	Coffee break & Posters
4:00 pm - 4:45 pm	Jernej Stare (National Institute of Chemistry)	Car-Parrinello simulation of hydrogen bonded solids
5:00 pm-6:00 pm	Student Working Groups
Tuesday, 2nd day
9:00 am - 10:00 am	Juergen Eckert (USF)	Quantum dynamics of bound hydrogen: Neutron scattering and computational studies
10:00 am - 10:30 am	Coffee break
10:30 am - 11:15 am	Simon Kimber (ESRF)	Local structure and PDF
11:15 pm - 12:45 pm	Student Working Groups
11:15 pm - 12:45 pm	Guided visit of the NBI
12:45 pm - 2:00 pm	Lunch
2:00 pm – 2:45 pm	Mauro Boero (CNRS-University of Strasbourg)	First principles and hybrid QM/MM dynamical simulations: A few basics and contact with experiments
2:45 am - 3:30 pm	Dimitri Argyriou (ESS)	Science at ESS
3:30 pm - 5:00 pm	Student Working Groups
3:30 pm - 5:00 pm	ESS Science: Opportunities & Ideas : Round Table with ESS Scientists
5:00 pm – 6:00 pm	Poster presentations: 2 minutes clips
5:00 pm - 7:30 pm	Beer party and posters
Wednesday, 3rd day
9:00 am - 10:00 am	Students Working groups
10:00 am  – 10:30 am	Coffee Break
10:30 am - 11:30 am	Neal Skipper (UCL)	The structure of nanocarbons in solution by neutron scattering and computer simulation
11:30am - 12:15am	Andrew D. Jackson	Niels Bohr, CERN, European facilities, bond between cultures
12:15 pm - 2:00 pm	Lunch
2:30 pm -	Sponsored by ØMIC	Visit to Arken Museum (http://www.arken.dk/content/us) & Conference dinner
Thursday, 4th day
9:00 am -10:00 am	Austen Angell (Arizona State University)	Fundamental aspects of the glass transition in liquids and disordering crystals
10:00 am -10:30am	Posters Coffee break
10:30 am – 11:15 am	Kristine Niss (Roskilde University)	"Simple"- glass-forming liquids
11:15 am -12:00 pm	Tejs Vegge  (DTU)	Rotational and translational diffusion in materials for energy storage from quasielastic neutron scattering and density functional theory calculations
12:00pm – 12:30 pm	Guided visit of the NBI – students groups
12:30 pm - 2:00 pm	Lunch
2:00-4:00	Student Working groups
2:00-4:00	Guided Tour for the senior scientists: National Gallery of Denmark - Statens Museum for Kunst http://www.smk.dk/en/visit-the-museum/visiting-information/
4:00-4:30	Posters Coffee break
4:30 pm – 6:00	3 Groups of Students (30 minutes each group)	Student presentations on their results
Friday, last day
9:00 am-9:45 am	Federica Migliardo (University of Messina)	Dynamics of biomolecules by EINS, INS and QENS
9:45 am-10:45 am	Denis Morineau (Université de Rennes 1)	Basics and illustrative cases of fluids confined in nanochannels studied by neutron and simulation methods
10:45 am – 11:15am	Posters Coffee break
11:15 – 12:30	Alan K. Soper (RAL)	Total scattering as a probe of structure in liquids and glasses
12:30 pm-2:00 pm	Lunch and Good bye