Senior Physicist/Team Leader
Theory and Software
X-ray Science Division
Argonne National Laboratory
9700 S. Cass Ave
(630) 252-5488 • email
Brian Toby is a synchrotron and neutron powder diffraction crystallographer. He has coauthored over 120 refereed papers with 4000 citations. He oversaw the construction of the 11-BM diffractometer and designed and implemented its world-leading automation system.
He is active in the US National Committee for Crystallography, the International Centre for Diffraction, the American Crystallographic Association and developed the pdCIF standard for the International Union of Crystallography. He is an editor of the journal Powder Diffraction and is on the editorial board of The Journal of Physical and Chemical Reference Data.
He has developed several novel software concepts: the first fitting program for PDF study of local order in crystalline materials and the first multi-field boolean search (a.k.a. PDF4) application for powder diffraction databases. His best known programs include CMPR, CIFTOOLS (pdCIFplot) and EXPGUI.
B.H. Toby, Y. Huang, D. Dohan, D. Carroll, X. Jiao, L. Ribaud, J.A. Doebbler, M.R. Suchomel, J. Wang, C. Preissner, D. Kline, and T.M. Mooney, "Management of metadata and automation for mail-in measurements with the APS 11-BM high-throughput, high-resolution synchrotron powder diffractometer". Journal of Applied Crystallography. 42(6): p. 990-3 (2009).
P. Jain, N.S. Dalal, B.H. Toby, H.W. Kroto, and A.K. Cheetham, "Order-Disorder Antiferroelectric Phase Transition in a Hybrid Inorganic-Organic Framework with the Perovskite Architecture". Journal of the American Chemical Society. 130(32): p. 10450-1 (2008) [25 citations].
B.H. Toby, "R-factors in Rietveld Analysis: How good is good enough?". Powder Diffraction. 21(1): p. 67-70 (2006) [22 citations].
B.H. Toby, "Powder dictionary (pdCIF)", in International Tables for Crystallography. Volume G: Definition and Exchange of Crystallographic Information, Editors S.R. Hall and B. McMahon. Springer: Dordrecht. p. 258-69 (2005).
P. DeSanto, D.J. Buttrey, R.K. Grasselli, C.G. Lugmair, A.F. Volpe, B.H. Toby, and T. Vogt, "Structural Aspects of the M1 and M2 Phases in MoVNbTeO Propane Ammoxidation Catalysts". Zeitschrift für Kristallographie. 219(3): p. 152- 65 (2004) [81 citations].
B.H. Toby and S.J.L. Billinge, "Determination of Standard Uncertainties in Fits to Pair Distribution Functions". Acta Crystallographica Section A. 60: p. 315-7 (2004) [6 citations].
B.H. Toby, "EXPGUI, a Graphical User Interface for GSAS". Journal of Applied Crystallography. 34: p. 210-3 (2001) [1196 citations].
M.A. Subramanian, B.H. Toby, A.P. Ramirez, W.J. Marshall, A.W. Sleight, and G.H. Kwei, "Colossal magnetoresistance without Mn3+ /Mn4+ double exchange in the stoichiometric pyrochlore Tl2Mn2O7 ". Science. 273(5271): p. 81-4 (1996) [219 citations].
B.H. Toby and T. Egami, "Accuracy of Pair Distribution Function-Analysis Applied to Crystalline and Noncrystalline Materials". Acta Crystallographica Section A. 48: p. 336-46 (1992) [123 citations].
(Citations counts as of 1/2011)
- Crystallographic studies of functional metal oxides and zeolitic materials
- Novel and conventional powder diffraction structural analysis techniques and software
- Non-periodic behavior (local distortions) in crystalline materials
- Informatics of powder diffraction and solid-state chemistry
- Molecular sieve structure-property relationships
- Crystallographic education methodology
Ph.D., Physical Chemistry, California Institute of Technology, 1986
B.A., Chemistry, Rutgers College, 1980.
- Team Leader for Scientific Software [2010-], Theory and Software Group;Group Leader [2005-2009] for the Materials Characterization Group; Physicist [2005-2008], Senior Physicist [2008-].Argonne National Laboratory
- Team Leader [1998-2005], Research Chemist [1995-2005], Crystallography Team. NIST Center for Neutron Research
- Principal Research Chemist, [1991-1993], Senior Principal Research Chemist [1993-1995], Central Research Services Dept., Air Products and Chemicals, Inc.,
- Research Associate [1988-1990], Lecturer [1990-1991], Department of Materials Science. University of Pennsylvania
- Senior Chemist [1985-1988], Central Scientific Laboratory, Union Carbide Corp.
Awards and Honors
- Elected as Vice Chair (2009-2011) and Chair-elect (2012-2014), U.S. National Committee on Crystallography of the National Research Council.
- 2005: Bronze Medal from the U.S. Department of Commerce for “Contributions to Powder Diffraction Software”
- 2004: Fellow, International Centre for Diffraction Data
- 1980: B.A. awarded with honors and highest distinction in chemistry; Phi Beta Kappa.
- 1980: American Institute of Chemists Undergraduate Award
- Lectures in powder diffraction crystallography http://www.aps.anl.gov/Xray_Science_Division/Powder_Diffraction_Crystallography/
- EXPGUI https://subversion.xor.aps.anl.gov/trac/EXPGUI
- CMPR https://subversion.xor.aps.anl.gov/trac/CMPR
- GSAS-II https://subversion.xor.aps.anl.gov/trac/pyGSAS
- Lectures in basic Python: (APS Python Interest Group, YouTube)