AVS 61st International Symposium & Exhibition
    Actinides and Rare Earths Focus Topic Monday Sessions

Session AC+AS+MI+SA+SS-MoA
Theoretical Modeling of f Electron Systems

Monday, November 10, 2014, 2:00 pm, Room 301
Moderator: Ladislav Havela, Charles University, Czech Republic


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Click a paper to see the details. Presenters are shown in bold type.

2:00pm AC+AS+MI+SA+SS-MoA1 Invited Paper
Nonmagnetic Ground State of PuO2
Jindrich Kolorenc, Academy of Sciences of the Czech Republic
2:40pm AC+AS+MI+SA+SS-MoA3 Invited Paper
DMFT Modeling of Electronic Spectral Properties in Pu-based Actinides
Jian-Xin Zhu, Los Alamos National Laboratory
3:40pm AC+AS+MI+SA+SS-MoA6
The Evolution in Pu Nanocluster Electronic Structure: From Atomicity to Three-Dimensionality
James Tobin, S.W. Yu, B.W. Chung, Lawrence Livermore National Laboratory, M.V. Ryzhkov, Russian Academy of Science-Urals, A. Mirmelstein, Russian Federation Nuclear Lab (VNIITF)
4:00pm AC+AS+MI+SA+SS-MoA7
First-Principles Density Functional Theory Simulation on Rare-Earth-Based Oxides as Fast Oxygen Ion Conductors
Mamoru Sakaue, M. Alaydrus, H. Kasai, Osaka University, Japan, T. Ishihara, Kyushu University, Japan
4:20pm AC+AS+MI+SA+SS-MoA8 Invited Paper
Electronic Structure, Magnetic Properties, and Magneto-Structural Transformations of Rare Earth Magneto-Caloric Materials
Durga Paudyal, Ames Laboratory, V.K. Pecharsky, K.A. Gschneidner, Jr., Ames Laboratory and Iowa State University