Advanced Methods and Tricks
of EXAFS Data Modeling

Workshop at the Annual NSLS Users' Meeting
Wednesday, May 23, 2001.

Workshop organizer: Anatoly Frenkel
Physics Department, Yeshiva University, New York, NY 10016


With the development of the ab initio theories and data analysis techniques, EXAFS method is evolving in a routine materials characterization method, on a par with other well established structural techniques. The goal of this workshop is to demonstrate how to make the most use of the experimental EXAFS signal via smart modeling (beyond the trivial first-shell analysis) and yet not to overinterpret the data. In addition, many common mistakes in the data analysis and some common examples of unphysical interpretations of the data, which are often overlooked, will be discussed.
The workshop is intended for the broad audience of synchrotron users from all fields of materials science, physics, chemistry, biology, environmental science, engineering etc. who specialize in EXAFS.

The brief report about the workshop is published in Synchrotron Radiation News and available here .


Workshop talks
(Follow the links below to download the abstracts or the entire presentations)
Download Avoiding Some Pitfalls in XAFS Analysis
Prof. Edward A. Stern
University of Washington, Seattle
Download Two-Pi Shift and Ligand-Swapping EXAFS Modeling Tricks
in Applications to Catalysis and Biology

Prof. Alain Michalowicz
University of Paris XII
Download Principal Component Analysis: Getting an Edge on EXAFS
Dr. Stephen R. Wasserman
MediChem Life Sciences
Download The Use of Bond Valence Sums in XAFS Analysis
Dr. Matthew Newville
University of Chicago
Download X-ray Absorption Spectroscopy of Zinc Sites in Proteins.
When is a Tetrathiolate not a Tetrathiolate?

Prof. James E. Penner-Hahn
University of Michigan, Ann-Arbor
Download Robust Structural Modeling Using Multi-Edge Refinements
Dr. Bruce Ravel
Naval Research Laboratory
Download Emergence of Materials Properties at the Nanoscale
Prof. Ralph G. Nuzzo
University of Illinois, Urbana-Champaign
Download XAFS in Anisotropic Structures:
Exploiting Angular Dependence for Better Modeling

Dr. Daniel Haskel
Argonne National Laboratory


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