CCL: GRC on Electron Distribution and Chemical Bonding 1-6 July 2007

 Sent to CCL by: "CARLO  GATTI" [c.gatti]_[istm.cnr.it]
          ONLY 10 DAYS left (deadline 10 June 2007)  to APPLY to the
           2007 GORDON RESEARCH CONFERENCE ON ELECTRON DISTRIBUTION
                AND CHEMICAL BONDING: DYNAMICS AND DENSITIES
       1-6 July 2007, Mount Holyoke College , South Hadley, MA, USA
           http://www.grc.org/programs.aspx?year=2007&program=elecdist
 Bring your poster! No other conference will ensure your poster the same
 visibility! All posters will be displayed for at least 2 full days, each poster
 being discussed in 4 sessions of 2 hours each (a total of at least 8 hrs per
 poster!), in addition to the free time for discussing and visiting posters in
 the early afternoons from Monday to Thursday.
 Dear colleague,
               Dylan Jayatilaka and I are pleased to draw your attention to the
 next 2007 GORDON RESEARCH CONFERENCE (GRC) ON ELECTRON DISTRIBUTION AND CHEMICAL
 BONDING: DYNAMICS AND DENSITIES.  The conference will be held in Mount Holyoke
 College, South Hadley, MA (USA), during the week of 1-6 July 2007.
 Details on the conference, on the application and registration procedures along
 with a full conference program can be find at the conference web location :
 http://www.grc.org/programs.aspx?year=2007&program=elecdist
 The aim of the conference, the scientific program, the information on IUCr
 scholarship are detailed below.
         As you may know, Gordon Research Conferences (GRCs) are the leading
 international conferences in each field. They attract the top international
 scientists in each field in a relaxed atmosphere with plenty of time to
 encourage communication and discussion of ideas at the Frontiers of Science.  As
 chair of the conference, I have put together with Dylan Jayatilaka (University
 of Western Australia, Perth) a conference program that will hopefully fulfill
 this goal with an outstanding collection of speakers and discussion leaders.
 AIMS OF THE CONFERENCE
         This research conference is traditionally aimed at presenting a forum
 for discussion on the interplay between theory and experiment when measuring and
 calculating properties related to electron distribution and the making/breaking
 of chemical bonds. However, time resolved studies are becoming more and more
 important and will be the hot topic of the future. This conference thus have a
 look at the present forefront research in the charge density field, but at the
 same time is shaped as to keep the eye towards the coming new directions, those
 that will be promoted by the advent of the X-ray Free Electron Laser facilities
 and the exciting opportunities and challenging problems of single-particle X-ray
 diffraction imaging. Indeed, these instrumental and basic science progresses are
 increasingly opening the traditional field of this conference towards life
 sciences and the  "movie-view" of electron distributions and chemical
 bonding.
         The conference will also discuss the impact of charge density databases
 towards structural determination and charge density reconstruction in proteins,
 and will debate on the relative importance of "fast" versus
 "good" X-ray data and on the quality of properties derived thereof. It
 will also deal  with the most recent progresses in electron diffraction, it will
 discuss as well the "chemical concepts" one may obtain from
 experimental and theoretical electron densities or wavefunctions and it will
 afford the problem of density, density matrices and wavefunction reconstruction.
 Looking forward to seeing you next July in Mount Holyoke,
 With very best regards,
                                       Carlo Gatti
 SCIENTIFIC PROGRAM
 for a complete program, with timetable, see http://www.grc.org/programs.aspx?year=2007&program=elecdist
 Sessions, Discussion Leaders, Speakers and Title of the talks
 1.  WHERE ARE WE NOW, WHERE ARE WE GOING
 Discussion Leader: Robert F. Stewart (CMU, Pittsburgh, USA)
 W.H. Eugen Schwarz (AG Theoretische Chemie, Siegen, Germany)
  Synergic symbiosis of experimental electron density determinations  and quantum
 theoretical calculations
 Mark A. Spackman (University Western Australia, Perth, Australia)
 Charge densities from X-ray diffraction data: Looking back, looking
 forward"
 2. TIME RESOLVED SPECTROSCOPY, STRUCTURE AND BONDING : THE PRESENT
 Discussion Leader: Claude Lecomte (LCM3B, Nancy, France)
 Philip Coppens (SUNY, Buffalo, NY, USA)
 What is next in excited state diffraction?
 R.J. Dwayne Miller (Physics Dept., University of Toronto, Toronto, Canada)
 Femtosecond Electron Diffraction: Making the Molecular Movie
 Majed Chergui (LSU, ISIC, Lausanne, Switzerland)
  Photoinduced electronic and structural changes in liquids probed by picosecond
 X-ray absorption spectroscopy
 3. TIME RESOLVED SPECTROSCOPY, STRUCTURE AND BONDING : THE FUTURE
 Discussion Leader: Jochen  R. Schneider (DESY, Hamburg, Germany)
 Massimo Altarelli (European XFEL Project team, DESY, Hamburg, Germany)
 Planning for time resolved experiments at the European XFEL
 Jerome Hastings (SLAC, Menlo Park, California, USA)
 Opportunities and Challenges Presented by the LCLS
 Henry Chapman (LLNL, Livermore, CA, USA)
 Ultrafast Coherent X-ray Imaging with Free- Electron Lasers
 4. HIGH THROUGHPUT OR QUALITY: ALTERNATIVE PATHS FOR X-RAY DIFFRACTION
 Discussion Leader: Bo B. Iversen (iNANO, University of Aarhus, Aarhus, Denmark)
 Mike Probert (Durham University, Durham, UK)
 Spend time collecting, or wishing you had
 Alan Pinkerton (University of Toledo, Toledo, OH, USA)
 Optimization and evaluation of data quality for charge density studies
 Hans-Beat Brgi (University of Bern, Bern, Switzerland)
 Vibrational dynamics of molecules in crystals from the temperature dependence of
 high quality Bragg data
 5. NEW TECHNIQUES AND TOOLS FOR STRUCTURE, BONDING AND PROPERTIES IN BIOLOGY
 Discussion Leader: Sine Larsen (ESRF, Grenoble, France and Univ. Copenhaghen,
 DK)
 Pieter Glatzel (ESRF, Grenoble, France)
 Electron distribution and inner-shell spectroscopy: Can we measure oxidation
 states?
 Cherif Matta (Mount Saint Vincent University, Halifax, Nova Scotia, Canada)
 Bond dissociation in biological molecules: Insight from the Theory of Atoms in
 Molecules
 6. TOWARD CHARGE DENSITIES FOR PROTEINS: WHICH DATABASE TO USE? WILL BIOLOGISTS
 CARE?
 Discussion Leader: Paul L.A. Popelier (University of Manchester, Manchester, UK)
 Alberto Podjarny (CNRS, Strasbourg, France)
 Quantum modeling of the catalytic mechanism of Aldose Reductase based on proton
 mobility revealed by neutron and subatomic resolution X-Ray
 crystallography".
 Christian Jelsch (LCM3B, Nancy, France)
 On the application of an experimental multipolar atoms library for accurate
 refinement of small-molecule and protein crystal structures
 Pauline Dominiak (SUNY, Buffalo, NY, USA and University of Warsaw, Warsaw,
 Poland)
 The UBDB Aspherical-Atom Databank Designed for Charge Density Analysis of
 Low-Resolution Structures and Electrostatic Evaluation of Macromolecular
 Complexes
 Birger Dittrich (University Western Australia, Perth, Australia)
 Invariom modeling: past achievements and future developments
 7.  PROGRESSES IN ELECTRON DIFFRACTION
 Discussion Leader: Kenji Tsuda (Tohoku University, Sendai, Japan)
 Chong-Yu Ruan (Michigan State University, East Lansing, MI, USA)
 Ultrafast meets ultrasmall: the development of ultrafast electron
 nanocrystallography
 Jesper Friis (NTNU, Trondheim, Norway)
 Charge density studies using convergent beam electron diffraction
 8.  CHEMICAL CONCEPTS FROM ELECTRON DENSITY: THEORY VS EXPERIMENT
 Discussion Leader: Richard F.W. Bader (McMaster Univ., Hamilton, Ontario,
 Canada)
 Miguel A. Blanco (Universidad de Oviedo, Oviedo, Spain)
 Electron number distributions, interacting quantum atoms, and chemical bonds in
 real space
 Wolfgang Scherer (University of Augsburg, Augsburg, Germany)
 On the nature and consequences of ligand-induced charge concentrations in
 transition  metal oxides, carbides and alkyls
 Louis J. Farrugia (University of Glasgow, Glasgow, Scotland)
 Topological characterisation of the transition metal-metal bond in ligand
 bridged systems
 9.  DENSITIES, DENSITY MATRICES AND WAVEFUNCTIONS
   (in honor of Prof. Vedene H. Smith, Jr)
 Discussion Leader: AJIT THAKKAR (Univ. of New Brunswick, Fredericton, Canada)
 David A Mazziotti (University of Chicago, Chicago, IL, USA)
 Reduced-density-matrix mechanics with application to many-electron molecules
 Wolf Weyrich (University of Konstanz, Konstanz, Germany)
 Title : To be announced
 SCHOLARSHIPS:
 A limited number of SCHOLARSHIPS, in the form of IUCr Young Scientists Awards
 are available for graduate students and post-docs under 35. Applications for
 this financial contribution toward accommodation and/or travel should be made to
 the chair and include a recent CV and full mailing and email address.
 Funding from NIH (National Institute of Health) is also available.