GSAS-II Rietveld Software Development Workshop: May 10 & 11
Argonne National Laboratory
Building 360, room A224 & C232
A small workshop is being organized at Argonne National Laboratory on
May 10 & 11 to discuss a potential future comprehensive, extensible
and adaptable crystallographic software package. The speaker list is
incomplete at this time, but is expected to include Alan Coehlo, Ralf
Grosse-Kunstleve, Bill David, Vincent Favre-Nicolin, Simon Billinge,
Bob Von Dreele and others. We see development of such a code as a
long-term project that would be carried out in parallel with the
continued maintenance of GSAS & EXPGUI, until such time as the new
code can replace the existing ones. The need for such a code is
driven by a need to expand the scope of crystallographic data
analysis to also utilize data from any other experimental method that
can be simulated from an atomistic model and likewise incorporate
theoretical and empirical models. The workshop goals are to
understand limitations in existing codes, to envision the science
that can be done with an extensible and adaptable package, and to
discuss design strategies for GSAS-II. Participants will develop a
report on our findings. Organizers are Simon Billinge, Alan Coehlo,
Jim Richardson, Brian Toby, and Bob Von Dreele with help from Juan
Rodriguez-Carvajal.
We have very limited funding and seating space, but welcome contact
from scientists interested in attending. Please send e-mail to the
workshop secretary, [EMAIL PROTECTED] <mailto:[EMAIL PROTECTED]>
(do not reply to this message!); let us know in a paragraph or two
what your interests would be in this area and, if appropriate, what
you would like to present.
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Brian H. Toby, Ph.D. office: 630-252-5488
Materials Characterization Group Leader, Advanced Photon Source
9700 S. Cass Ave, Bldg. 433/D003 work cell: 630-327-8426
Argonne National Laboratory secretary (Marija): 630-252-5453
Argonne, IL 60439-4856 e-mail: brian dot toby at anl dot gov
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