The poster session will be held from 16:20 to 17:40 in the 2nd day (9th)
on the 5th floor.
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| P-1 |
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| Z. Dier |
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Finite Element Method for Solving Kohn-Sham Equations
Based on Self-adaptive Tetrahedral Mesh
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| P-2 |
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| T. C. Allison |
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Studies of Molecular Descriptors Derived from
ab initio Calculations on Transition Metal Clusters
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| P-3 |
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| Y. Liang |
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Self-accumulation of aromatics at oil-water interface
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| P-4 |
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| A. Tezuka |
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Hopping path for hydrogen in LaNi5
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| P-5 |
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| W. Fa |
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MgO-Supported Gold Cages Identified by their
Vibrational Modes: First-Principles Simulations
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| P-6 |
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| J. Zhou |
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Spin-orbit coupling in the low-dimensional carbon materials
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| P-7 |
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| A. Yang |
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Magnetic Properties of Transition-Metal Doped
Tubular Gold Clusters: M@Au24 (M = V, Cr, Mn, Fe, Co, and Ni)
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| P-8 |
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| H. Kim |
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Spin-Orbit Induced Insulating Phase of Na2IrO3
as a Quantum Spin-Hall Insulator?
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| P-9 |
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| M. Chakraborty |
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ATAT@WIEN2k: An interface for cluster expansion
based on the linearized augmented planewave method
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| P-10 |
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| K. Sawada |
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Magnetic Ground State of Graphene Nanoribbons on Substrates
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| P-11 |
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| T. Kaneko |
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Quantum mechanical feature of hydrogen
atom in LaNi5 and its effect on neutron scatterings
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| P-12 |
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| A. Sakamoto-Harada |
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Bonding properties of hydrogen adsorbed
at the edges of nanostructured graphite:
ab initio molecular-dynamics studies
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| P-13 |
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| N. Taguchi |
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C2H4 adsorption on Pd surface stacked on Au(100)
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| P-14 |
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| H. Jippo |
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First-principles electronic transport
calculations on defects in zinc oxide
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| P-15 |
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| H. Valencia |
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Ab initio study of Room-Temperature Ionic Liquid
interactions with a Li metal surface as a model
for ionic-liquids based Li batteries
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