The aim of this workshop-school is to discuss how a reliable picture of “where the atoms are and what the atoms do” can be obtained by combining structural experiments, obtained using x-ray and neutron diffraction, with computational methods, such as Reverse Monte Carlo, needed for understanding complex or disordered structures with inelastic neutron scattering experiments and their interpretation by quantum chemical calculations on periodic systems and molecular dynamics simulations.
The main focus of the discussions will be on the use of theoretical simulations (both empirical and ab-initio) for the detailed, atomic level interpretation experimental data from X-ray and neutron diffraction as well as inelastic neutron scattering, on the structure and dynamics in a wide range of materials.
Each topic will be introduced by a motivational or tutorial talk on a selected scientific achievement, in such a way all participants can gain a broader notion of the benefits of the approaches discussed. Basic information on the complementary properties of the different types of techniques, their data interpretation, as well as information on recent applications and developments will also be given.
The students will be assigned to a small project and will be guided by the respective lecturers to a solution. The results from the students’ projects will be presented in a short oral session. In parallel with, and following the school we plan to hold a small but intensive scientific meeting on carefully selected topics of relevance to the school and of current interest with extensive discussion between experimental and computational scientists.
Starts Jun 25, 2012 09:00
Ends Jun 29, 2012 14:00
The Niels Bohr International Academy
Aud. A
Blegdamsvej 17 2100 København Ø Denmark
This workshop is sponsored by the Niels Bohr International Academy 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. Students that fullfill all the requirements of the classes will get 5 ECTS for this course.
A limited number of students travel&accommodation  will be sponsored by the European Spallation Source.
Excursion and conference dinner  will be sponsored by  the Øresund Materials Innovation Community Program.örande/EU-+og+program.

Organizers: Heloisa N. Bordallo (, Juergen Eckert ( and Neal Skipper (

Local Support: Johan Jacobsen (, Alexander Karlberg (, Gitte Michelsen ( and Helle Kiilerich (