We would like to draw your attention to the following which may be of interest to you:

Session 19c at the Goldschmidt Conference 2011, Aug 15-19th, 2011, Prague, Czech Republic
Modeling Transition Metal Compounds: Oxides, Sulfides, and Interfaces
Convenors: Rossitza Pentcheva, Ronald Cohen and Nora de Leuw

Keynote: Udo Becker (University of Michigan),
Jan Kunes (Czech Academy of Sciences, Prague)
Invited: Gerd Steinle Neuman (BGI Bayreuth)

Unlike transition-metal-free materials which are well described by standard applications of density functional theory, transition metal bearing minerals present major challenges to computational mineral physics. This session will assess methodological developments beyond standard density functional theory (LDA+U, LDA+DMFT, QMC, hybrid functionals) and discuss issues of accuracy, speed, and generality which are not yet understood. Applications to transition metal compounds including oxides and sulfides will also be addressed, particularly issues relevant to modelling materials under pressure as well as phenomena arising at correlated solid-solid interfaces.
http://www.goldschmidt2011.org/themes?theme=19&showDescriptions=true#ses...

Please note that the deadline for submitting abstracts is approaching (April 15th). For more information: http://www.goldschmidt2011.orgthemes?theme=19