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Plenary Session - Tuesday 15 March 2011 - 9am - 12pm

Dubrovinsky    Petkov
Leonid Dubrovinsky
University of Bayreuth, Bayerisches Geoinstitut, Germany
Look at the Earth’s Interior with
X-rays through a Diamond Window
  Valeri Petkov
Central Michigan University, Department of Physics, USA
Structural Characterization of Non-crystalline Materials
by Non-traditional X-ray Diffraction
Rizzi   Crowder
Rosanna Rizzi
Istituto di Cristallografia - Bari, Italy
From X-ray Powder Diffraction Pattern
to Structure Solution through New Algorithms,
Strategies and Tips: The EXPO Program
  Cyrus Crowder and Soorya Kabekkodu
International Centre for Diffraction Data, USA
Implementation of Modulated and Composite
Structures in the Powder Diffraction File


Professor Dr. Leonid Dubrovinsky

Professor Dr. Leonid Dubrovinsky received his MsSc degree in Geochemistry in 1983 and PhD in Crystallography and Crystalphysics in 1986 from M. V. Lomonosov Moscow State University. He worked as Senior Researcher in the Institute of Geology of Ore Deposits, Petrology, Mineralogy and Geochemistry at the Russian Academy of Sciences until 1996. In 1994, Leonid moved to Uppsala University (Sweden), where he received the distinction of becoming habilitated in 1998, before becoming an Associate Professor in 2001. In the same year, he attained the Senior Staff Scientist position at the Bavarian Research Institute of Experimental Geochemistry and Geophysics (Bayerisches Geoinstitut), University of Bayreuth (Germany). Since that time, he has been working in Bayreuth as Professor and Academic Director.

Leonid has been involved in research using diamond anvil cell techniques since 1995, when he helped to set up the X-ray facility in the diamond anvil cell (DAC) laboratory at the Department of Earth Sciences, Uppsala University, Sweden. At Bayerisches Geoinstitut, he established a new ultra high-pressure X-ray powder diffraction laboratory and is in charge of laser-heating laboratories and the diamond anvil cell facilities. His research interests focus on in situ studies of the high-pressure and high-temperature properties of geophysically-relevant materials. An important part of Leonid’s research activity is materials-physics oriented studies, especially work on superhard materials.

Professor Dr. Leonid Dubrovinsky is an author and co-author of more than 250 scientific papers in peer reviewed journals. He is elected chair of the Special Interest Group “Crystallography under Extreme Conditions” of the European Crystallographic Association, a member of the European High Pressure Research Group (EHPRG) Committee, elected chair of the subcommission on spectroscopy, diffraction, and new instrumentations in mineral physics of the International Mineralogical Association, and a member of the editorial board of the journal of High Pressure Research. He was awarded by the Anna-Greta and Holger Crafoords Fund (Sweden), received Bergstedt prize from the Royal Society of Sciences (Sweden) (1998) and European Mineralogical Union Excellence Medal (2000).

Dr. Valeri Petkov

Born in Bulgaria, Dr. Valeri Petkov graduated from the University of Sofia, Bulgaria, with a degree in Physics in 1983. He worked as a staff scientist in an X-ray laboratory at the Institute of Chemistry at the Bulgarian Academy of Sciences from 1983 to 1987. While at the Institute of Chemistry, Dr. Petkov learned X-ray diffraction (XRD) on Russian-made diffractometers, did his first Rietveld refinement, and spent hours browsing the Powder Diffraction File/Hanawalt Search Manual to do phase identification of polycrystalline materials. In 1988, Dr. Petkov joined the Department of Solid State Physics at Sofia University as an assistant professor, where he used diffraction to examine non-crystalline materials, in particular metallic glasses.

From 1992-1993, Dr. Petkov worked at Tohoku University, Japan, as a visiting scientist performing both wide-angle and energy-dispersive XRD on high-temperature melts with MAC Science and Rigaku instruments. From 1995-1997, Dr. Petkov worked at Rostock University, Germany, as a Humboldt research fellow. While studying in Germany, Dr. Petkov used Siemens and Stoe instruments to conduct synchrotron experiments at HASYLab, Hamburg.  In 1998, Dr. Petkov spent time in Campinas, Brazil working at a synchrotron facility which had recently opened.

In 1999, Dr. Petkov began working at Michigan State University, Michigan, USA, as a visiting professor. Since 2002, Dr. Petkov has been a Physics Professor at Central Michigan University, Michigan, USA, where he has an XRD lab equipped with a PANalytical instrument. The instrument is used for routine powder XRD studies and, recently, for higher-energy XRD (Ag tube) studies of materials with a limited degree of structural coherence such as: crystals with intrinsic disorder, polymers, composites, nanoparticles, and bulk glasses. A great deal of the research performed by Dr. Petkov’s group is done at synchrotron radiation facilities including CHESS, Cornell University, New York, USA; NSLS, Brookhaven National Laboratory, New York, USA; and APS, Argonne National Lab, Illinois, USA. Dr. Petkov performs high energy XRD (~100 keV) experiments coupled to atomic pair distribution functions (PDF) analysis, a technique which can be applied to a growing number of complex materials being explored extensively in science and industry today. Dr. Petkov has written several computer programs for XRD data reduction and actively works to educate the scientific community in the atomic PDF technique by organizing workshops at the Denver X-ray Conference, and other conferences. More information about these and other recent activities of Dr. Petkov can be found at:  http://www.phy.cmich.edu/people/petkov/

Dr. Rosanna Rizzi

Dr. Rosanna Rizzi was born in Barletta, Italy, in 1969. In 1994, she graduated with a degree in Physics at the University of Bari and since 1995, she has worked as researcher (initially by term contracts and then, from 2001, in a permanent position) at the Institute of Crystallography (IC) of the Italian National Research Council in Bari. She researched in collaboration with Prof. Carmelo Giacovazzo, a renowned Crystallographer. In 2002, she received her PhD in Earth Science, at the University of Bari, Italy, under the supervision of Prof. C. Giacovazzo. In 2003, she was awarded the ‘Alessandro Vaciago’ from the Accademia Nazionale dei Lincei. For three months in 2004, she worked as a visiting scientist at ISIS Facility Rutherford Appleton Laboratory (Oxford) for three months working on the project entitled: “Determining low-resolution crystal structures from powder diffraction data,” in collaboration with Prof. W.I.F. David.

Since 2005, she has been a member of the Commission on Powder Diffraction (CPD) of the International Union of Crystallography (IUCr). Dr. Rizzi’s research has been referenced in more than 50 scientific publications, international reviews, and at several national and international conferences. She has also participated as an invited speaker and as a chairman at international congresses and schools. She has been a referee for Acta Crystallographica, Journal of Applied Crystallography, Zeitschrift fur Kristallographie and Powder Diffraction.

Her research activity is mainly devoted to the development of innovative methodologies aimed at improving the ab-initio structure solution process by powder diffraction data of organic and inorganic compounds. In particular, all the steps involved in a structure solution process, like indexing a powder pattern, determination of the space group, decomposition in single integrated intensities of an experimental pattern, and calculation of phases via Direct Methods and Rietveld refinement, have been largely developed and their limits extended. Recently, her scientific research has been devoted to structure solution of small organic compounds particularly resistant to Direct Methods, developing direct space strategies like Simulated Annealing. Dr. Rizzi is co-author of three important crystallographic computing programs widely used by the national and international community aimed at: 1) ab-initio structure solution by powder diffraction data (EXPO, EXPO2004 and EXPO2009), starting from the experimental X-ray diffraction pattern and arriving at a refined structure; 2) qualitative (QUALX) and quantitative (QUANTO) analysis of multiphase mixtures.

Dr. Cyrus Crowder

Dr. Cyrus Crowder is currently the Principle Scientist of the International Centre for Diffraction Data. He received his BS in Chemistry at the University of Missouri - Rolla in 1976 and followed that with 2 years of teaching high school physical sciences and mathematics in Missouri. He returned to the University of Missouri - Rolla to receive an MS degree in Physical Chemistry in 1980 and a PhD in 1982 using neutron diffraction to do structural studies on magnetic intermetallics and their hydrides. Dr. Crowder joined the Dow Chemical Company in 1982 and has been active in the field of X-ray diffraction since that time. As a member of Dow’s Analytical Sciences Laboratory, he used various X-ray diffraction techniques to solve both R&D and production-related problems in the fields of polymer science, pharmaceuticals, catalysis, ceramics, electronics, and composite materials. He was co-winner of an IR-100 award in 1987 for his work on the development of the combination DSC/XRD instrument and co-winner of the International Zeolite Association Breck Award in 1989 for his determination of the structure of VPI-5 - a molecular sieve with the largest known pores at the time. Before his retirement from Dow in September 2007, his responsibilities included Global Technology Steward for X-ray diffraction and tomography and representative for Dow on the DND-Cat Board of Directors at the APS synchrotron, Argonne National Laboratory. He served for four years on the Board of Directors of the ICDD (1994-1998) and was elected ICDD Fellow in 2000. Dr. Crowder joined the ICDD as Principal Scientist in September of 2007 following his 25-year career at Dow.

Areas of expertise: XRD phase identification, phase quantitation by whole pattern methods, crystallography, synchrotron-based powder diffraction, combination thermal/phase analyses (DSC/XRD)

Dr. Soorya Kabekkodu

Dr. Soorya Kabekkodu (Suri) received his MS in Chemistry from the Mangalore University in India in 1992. Suri’s thesis, “Structural Phase Transition in Inorganic Systems: Insights from X-ray Diffraction Studies”, earned him his PhD in chemical crystallography from the Indian Institute of Science, a premier research institute in India, in 1999.

Suri joined the ICDD in June of 1999 as a Post Doctoral Research Fellow and accepted the position of Editor of Calculated Patterns in 2000. In 2003, he chaired the task group to develop a method to assign quality marks to calculated patterns. He developed and implemented the algorithm to evaluate the quality of calculated patterns based on the task group outcome.  Suri has calculated and critically-reviewed (using his data evaluation suite) more than 700,000 diffraction patterns.

Suri is currently the Editor-in-Chief of the Powder Diffraction File (PDF) where he remains heavily involved in the significant crystallographic review of crystal structures and X-ray diffraction patterns prior to their publication. Over the years, he has developed various algorithms to evaluate and classify crystal structures, optimizing the editorial process. Automating the subfile assignment has enhanced the search/match capability using the Powder Diffraction File. Suri has spearheaded several projects leading to many of the enhancements to the PDF, including the addition of atomic coordinates, quality mark assignment, extensive cross-referencing, structure prototyping and classification. The quality improvements to the PDF have a direct impact on phase identification processes.

Areas of expertise: Chemical crystallography, structural chemistry, computational crystallography, X-ray diffraction



Following the Plenary…
Uncover American History at the National Constitution Center at the Social Event, then attend the Poster Session and Reception