Advanced Photon Source

Office of Science User Facilities

Computational X-ray Science Group (XSD-CXS)

The Theory and Software Group was established in 2004 as a joint program between the Department of Physics at Northern Illinois University and the Advanced Photon Source.

The group's focus is on

  • X-ray spectroscopy, including X-ray Absorption and X-ray Magnetic Dichroism, Inelastic X-ray Scattering.
  • Magnetism and strongly correlated systems and the study thereof with (polarized) X-rays.
  • Systems away from equilibrium
  • Powder diffraction analysis (also combined with EXAFS, SAXS), development of GSAS-II
  • Software development

The Group also maintain and develops a wide variety of codes to analyze and model X-ray experiments.
For more information, see the Scientific Software page.

At the APS, the Theory Group collaborates with experimental groups at several beam lines. At NIU, the theory effort is integrated with the nanoscience program of the Institute for Nanoscience, Engineering and Technology (INSET) at NIU's Department of Physics.



Science Highlights

The Theory of Inelastic Scattering and Absorption of X-rays
M. van Veenendaal, Cambridge University Press, Cambridge, United Kingdom, ISBN-13: 978-1107033559.



PuSb The Ground State Wavefunction of Plutonium in PuSb as determined via X-ray Magnetic Circular Dichroism
M. Janoschek, D. Haskel, J. Fernandez-Rodriguez, M. van Veenendaal, Y. Choi, J. Rebizant, G. E. Lander, J.-X. Zhu, J. D. Thompson, and E. D. Bauer, Phys. Rev. B. 91, 035117 (2015).



Xclaim: a graphical interface for the calculation of core-hole spectroscopies
J. Fernández-Rodríguez, B. Toby, and M. van Veenendaal, J. El. Spec. and Rel. Phenom. 202, 81 (2015).

For software, click here