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Plenary - Tuesday 24 March 2009

Tuesday: Technical Regional Co-Chairs' Meeting, Plenary Session, Social Event

Technical Regional Co-chairs' and Technical Subcommittee Chairs’ Meeting
All Regional Co-chairs and Technical Subcommittee Chairs should plan to attend this meeting. There will be a planning meeting for global technical activities in the 2009/2010 fiscal year. Activities include technical workshops, grant-in-aid workshops, and cooperative meetings with other technical organizations. This meeting will also acquaint and review the procedures and duties of Technical Subcommittee Chairs.

In keeping with the mission of the ICDD, we will continue with our format of exchanging ideas and information with our Tuesday Plenary Session and Social events.

Plenary Session - 9:00 am - Noon - Download Plenary Info/Schedule PDF

Emerging Capabilities in Powder Diffraction

Developments in generators, optics, high-speed and high-resolution detectors, combined with increasing processing power and storage capability in PC’s, are enabling new fields of analysis and an expansion of capabilities in X-ray powder diffraction. The four plenary speakers will address emerging fields, and the challenges in analyzing and interpreting diffraction data.

Dr. Vaclav Petříček from the Institute of Physics ASCR, Czech Republic and Dr. Artem Abakumov from EMAT, University of Antwerp, Belgium will discuss the science of modulated structures and their analysis. Dr. Robert Von Dreele, Argonne National Laboratory, USA will discuss the challenges of analyzing biological materials and proteins by powder diffraction. ICDD’s Dr. Diane Sagnella will demonstrate a new program designed to input, review and standardize data from a very wide range of instruments and data types.

(CANCELLED) Dr. Artem Abakumov, EMAT, University of Antwerp, Belgium
  Transmission electron microscopy and X-ray powder diffraction for solution of modulated structures: a synergetic approach (pdf)
Dr. Timothy Fawcett, International Centre for Diffraction Data, U.S.A.
  Developing Advanced Databases for Total Pattern Analysis (pdf)
Dr. Václav Petříček, Institute of Physics ASCR, Czech Republic
  Introduction to Structure Analysis of Modulated and Composite Crystals
Dr. Diane Sagnella, International Centre for Diffraction Data, U.S.A.
  DATA QUACkER: A New Program to Filter and Funnel Data into the ICDD (pdf)
Dr. Robert Von Dreele, Argonne National Labs, U.S.A.
  10 Years of Protein Polycrystallography



Dr. Artem Abakumov

Dr. Artem Abakumov studied chemistry at the Department of Chemistry of Moscow State University where he received his Ph.D. in 1997 and obtained a position of scientific researcher at the Laboratory of Inorganic Crystal Chemistry. He spent three years as a postdoctoral fellow and as an invited professor at the Laboratory of Electron Microscopy for Material Research (EMAT, University of Antwerp) and joined the EMAT group in 2008.

His research interests are in crystal chemistry and properties of mixed oxides, modulated structures, and electron microscopy investigation of local structure. He is the co-author of more than 100 articles, two patents and more than 60 contributions to international conferences.

Dr. Timothy Fawcett

Dr. Timothy Fawcett began his career receiving his B.S. in Chemistry at the University of Massachusetts and a Ph.D. degree in Inorganic Chemistry at Rutgers University. At Rutgers he combined x-ray crystallography with various spectroscopy techniques to study amino acids, chromophores of metalloproteins, and cupruretic agents for Wilson's disease. He was hired into the x-ray diffraction laboratory of the Analytical Sciences Department of the Dow Chemical Company in Midland, Michigan. During the next 10 years, he worked in the x-ray diffraction laboratory performing a wide range of analyses of corrosion products, inorganic materials, advanced ceramics, catalysts, pharmaceuticals and polymers. He eventually managed the inorganic analysis laboratories in Analytical Sciences, that included XRD, XRF, NAA, AA, ICP, AES, CHN, IC and electrochemical analyses. He worked with a team of scientists that developed and patented the simultaneous DSC/XRD/MS instrument, which won an IR-100 award in 1987. From 1986 to 1988 he served on the Board of Directors for the ICDD.

During the 1990's, Tim managed several new product development groups in advanced materials, electronics, coatings, dispersions, ceramics and automotive components for different business organizations within the Dow Chemical Company. He became an ICDD fellow in 2000 and joined the ICDD as Executive Director in 2001. During his career, Tim has authored 35 publications, been a frequent guest lecturer, and presented several papers and workshops at global X-ray conferences. Several of his publications have been incorporated in the book, Methods & Practices in X-ray Diffraction, published by the ICDD. As Executive Director of the ICDD he has directed and participated in the dramatic growth of the Powder Diffraction File to ~600,000 entries which is now used by scientists in over 100 countries. 

Dr. Václav Petříček

Dr. Václav Petříček (VP) was born 15th May 1948, in Ústínad Labem, Czechoslovakia. After graduation from the Faculty of Mathematics and Physics of Charles University in 1972, he had joined the Institute of Physics of the ASCR, in Prague, and he had linked his whole-life career with this institution. In the 1970’s, VP developed the program SDS for structure refinement, which could work with various kinds of twinning and with rigid bodies. After finishing his PhD studies, VP accepted a post-doctoral fellowship in Philip Coppens laboratory.  This stay resulted in the first version of the well-known program JANA. The cooperation with Philip Coppens laboratory led to several exceptional results such as the solution of the modulated structure of the Bi2212 superconductor and the solution of two-dimensionally modulated phase of TTF TCNQ.

The program was gradually changing from a specific refinement tool for modulated and composite structures to a general program applicable to classical and aperiodic crystal structures solved and refined against single crystal and powder data.  The newest version also allows joint refinement against different data sets, and includes the possibility to handle magnetic structures.

VP is author or co-author of more than 180 publications in impacted journals with about 2500 citations.  Some of these works had impact to the theory of modulated and composite crystals.  As an appreciation of his work, VP has been invited to present several keynote lectures at ECM and IUCr meetings, and he was also one of invited speakers at the occasion of awarding of the Aminoff Prize 1998 to T. Janssen, M. de Wolff and A. Janner, the founders of aperiodic crystallography.

Dr. Diane Sagnella

Dr. Diane E. Sagnella received her BS in Chemistry supported by a minor in Biology from West Chester University in 1992.  Immediately following, she attended the University of Pennsylvania from 1992-1997 where she received her PhD in Physical Chemistry.  As a graduate student she wrote software to study proton transfer in water and biosystems via classical and semi-classical algorithms.  During her last few months at UPenn, she wrote an NIH grant to study various reaction mechanisms using mixed quantum –classical techniques.  The grant was funded and she moved to Boston, MA where she did her post-doc under John Straub at Boston University in 1997. 

Upon completion of her post-doc in 2000, she started work at JungleSoft, a Boston-based startup company.  There she worked as a software engineer where she wrote back-end programs to support the company’s web-site and customer database.  The start-up went the way with many startups at the time and she was forced to seek employment elsewhere.  This brought her, in 2001, to the Provider Service Network (PSN), also in Boston.  There she assumed the role of SQL developer where she supported old and developed new solutions for the company’s medical/pharmaceutical database records.   In August 2002, Diane moved to Italy with her family returning in 2003.  Upon return to the states, she put out many resumes looking for a programming position.  In April, 2004 the ICDD’s Terry Kahmer contacted her about a position.  The rest, as they say, is history. Diane’s current work involves aiding the editorial effort by writing and developing new code to facilitate the data review.

Dr. Robert Von Dreele

Dr. Robert Von Dreele is a Senior Physicist holding an appointment at the Advanced Photon Source (APS), Argonne National Laboratory. Previously, he was Professor of Chemistry at Arizona State University (1971-1986) and Scientific Staff Member at Los Alamos National Laboratory (1986-2003). His career has largely been focused on the development of X-ray and neutron powder diffraction, and its application to a wide variety of scientific problems. These include the initial development of a practical application of the Rietveld method to neutron time-of-flight (TOF) powder diffraction data, development of in situ neutron TOF powder diffraction at high pressure, development of high precision texture analysis of neutron TOF powder data, and most recently the first application of high resolution X-ray powder diffraction to protein crystal structure problems. His current research is in further extensions of protein powder diffraction including investigation of crystal growth, phase transformations, radiation damage and exploring possible routes to de novo protein structure determination from powder data.

He is the principal developer of the widely used software, General Structure Analysis System (GSAS). He has over 150 articles published in refereed journals which have been cited in excess of 5000 times by others. He has been awarded a NSF Postdoctoral Fellowship (1972-3),  Fulbright Fellowship (1986), Los Alamos National Laboratory Distinguished Performance Award (1998), 5th Joseph Morgan Lecturer at Texas Christian University (2000), and Fellow of the Mineralogical Society of America (2001). He served on the IUCr Commission on Powder Diffraction (1996-2000). He is an ex-offico member of the US National Committee for Crystallography and is currently the President of the American Crystallographic Association.