Welcome to ECDM 6!

As a continuation of previous meetings held in Nancy (1996, France), Sitges (1999, Spain), Sandbjerg Estate (2003, Denmark), Brandenburg on the Havel (2006, Germany) and Gravedona (2008, Italy), we have the pleasure to announce the sixth conference of the European Charge Density Meeting series, ECDM-6.
Analogously to previous conferences we would like to present the latest results of electron structure studies. The ambition of organizers is to strengthen the collaboration between experimentalists and theorists. The construction of large facilities such as XFEL is a great challenge for all researchers in this field. Thanks to great improvements in experimental equipment as well as more powerful computers nowadays it is necessary to spread the results of charge density analysis in both the chemistry and the materials science communities in order to bring new practical applications.
We regard it as important to exploit the cross-fertilization of scientific ideas within the discussions of new research directions that should naturally result from the mixing of ideas of particular participants. This will also be the occasion to start thinking about specific programs in the charge density realm, how to exploit the funding by european science programs.
As a meeting venue we have chosen the city of Štrbské Pleso, a charming small village at the same glacial mountain lake in the High Tatras, a well known part of Slovakia. September has nice and stable weather, so we believe that we will have a nice time for relaxing. If you will come few days before or stay after the conference, this will largely increase your chance to enjoy nice sunny days on the lake and/or on the wonderful mountains surrounding the area.
Participants are expected to arrive to Štrbské Pleso in the afternoon of Saturday, September 15th for welcome reception. The meeting will run from Sunday, September 16th morning until Wednesday, September 19 evening. We will have the social excursion on Tuesday and later in the evening the ECDM-6 Social Dinner. ECDM-6 will then run over the next day and will be closed by a ceremony after the afternoon session on Wednesday, September 19th. Departure by conference buses is on Thursday, September 20th at 9 a.m.
We look forward bringing together an outstanding and diverse group of scientists at the forefront of charge density research and we promise to make attempts to include younger scientists and PhD and degree students as well.
Welcome in Štrbské Pleso. On behalf of the Organizing Committee,
Stanislav Biskupič and Jozef Kožíšek

Electron Distribution and Chemical Bonding

Pushing the Limits of Experimental and Theoretical Charge and Spin Density Studies

June 2-7, 2013Â

Les Diablerets Conference Center Les Diablerets, Switzerland

• Â Chair: Piero MacchiÂ
• Vice Chair: Wolfgang Scherer

The Gordon Conference on Electron Distribution and Chemical Bonding is typically devoted to discussion on the nature of chemical interactions by studying the electron density distribution of molecules or solids. This attracts contributions from various fields, ranging from quantum chemistry and theoretical physics to experimental crystallography, materials chemistry and solid state physics.
The frontiers of this scientific area are addressed by putting the focus on the exploration of new types of chemical bonding/interactions and the identification of the control parameters providing the basis for a rational materials/drug design. Accordingly, the topics also enclose recent and future innovative concepts such as state-of-the-art charge density studies at "non-standard conditions" (high pressure, electric field, etc.) or novel techniques to explore photochemical or ultrafast processes. Another focus lies on the challenge to perform charge density studies at subatomic resolution. Here, the conference attributes to the dramatic instrumental achievements in pushing the resolution limits to meet the requirements for the study of core polarization effects.

Synchrotron Charge Density School at ChemMatCARS

The aim of the school is to provide young researchers with a hands-on experience enabling them to utilize new crystallographic instruments and techniques, especially the combination of X-ray and neutron diffraction, to investigate the structure of matter at the atomic level. The school will provide an opportunity to integrate the relationship between experiment and theory when addressing real world problems of chemical, biological and technical importance. The end result will be to ensure the next generation of researchers develop an awareness of dynamic, cutting edge experimental techniques.
Participants are invited to submit a beam time proposal and four proposals will be selected to carry out hands-on data collection and analysis during the workshop. Both new and experienced users of the APS are invited to attend.

• Beamtime begins at 8:00 am on Saturday March 9, 2013 (by proposal application).
• Formal program held March 11-15, 2013.
• Class size limited to 40.
• Meals, onsite lodging, and partial travel support provided (more info »).
• Registration fee $75 for students and postdocs, $300 for senior scientists and faculty, due upon acceptance to the workshop.
• Application deadline is December 31, 2012.

5th European Charge Density Meeting

in conjunction with DFG 1178 annual meeting

The 5th European Charge Density Meeting (in conjunction with DFG 1178 annual meeting), took place in Gravedona, on the beautiful shores of the Lake of Como (Italy) between 6 and11 June 2008. The conference has been organized by CNR-ISTM Milan, University of Insubria at Como, University of Milan and DFG SPP-1178 .

Keynote Lectures

• Long live the QTAIM. New ideas in the Quantum theory of Atoms in Molecules (A. M. Pendas, Oviedo)
• Chemical insights from charge density (D. Stalke, Goettingen)
• The role of charge and spin density in the quantum mechanical simulation of crystalline solids. The case of X3Y2Si3O12 garnets (R. Dovesi, Torino)
• Chemical bonding at extreme conditions: a few extreme examples and new trends (Y. Xie, A. Oganov, Jilin and Zurich)
• Including theoretical information for obtaining additional and more reliable information from X-ray diffraction data (B. Dittrich, Goettingen)
• Charge density and intermolecular potential. Towards a theory of molecular aggregation and crystallization (A. Gavezzotti, Milano)
• Intermolecular interactions, a multipolar model approach (P. Coppens, A. Volkov, P. M. Dominiak, Buffalo)
• Understanding the Halogen...X (X=Halogen, Lewis Base) interactions: Application to charge transfer complexes(S. Dahaoui, Nancy)
• Applications of Experimental Electron Density Work in the Life Sciences: From Small to Macromolecules (P. Luger, Berlin)
• Application of synchrotron charge densities in materials chemistry (B. B. Iversen, Aarhus)

Topics of the ECDM5 Micro-Symposia

• Chemical bonding in extreme environments: Crystallography under high pressure or electric field (chair: U. Pietsch)
• Charge, Spin, and Momentum densities in Materials Science (chair: Y. Wang)
• Large facilities and charge density in the life sciences (chair: J. Helliwell)
• New functions and descriptors for chemical bonding (chair: M. Kohout)
• New directions in charge density refinement and density matrix reconstructions (in memory of Niels Hansen) (chair: F. Larsen)
• Static and dynamical aspects of charge density (chair:C. Matta)
• Molecular interactions : the charge density viewpoint (chair: M. Spackman)

Topics of the DFG-1178 Micro-Symposia

• Molecules
• Materials
• Life Science and Theory

After the success of the workshop organized in Buffalo (NY) in 2003, a new school on accurate charge density determination and analysis is presented. The XD2006 program package has been recently released, including new features that summarize the main developments occurred in the field during the last few years.Â

New students have started projects on charge density analysis and therefore a systematic and accurate training is necessary.Â

The workshop is mainly intended for undergraduate, PhD or postdoctoral students as well as for senior researchers who want to approach the field. Theoretical lectures will be accompanied by hands on computing sessions, where students will learn how to perform a multipole refinement and the new methods to compute interactions between molecules in crystals or to analyze the electron density distribution.Â

The workshop is organized in a small village in the south of Italy (Martina Franca, nearby Bari) with the purpose to provide the students with a nice and relaxed atmosphere. We are grateful to commercial sponsors for economic support and to the IUCr for the availability of funds to assist young scientists.Â