Recently, we proposed a novel concept, "quantum-theory-based simulation with precise characterization", to sketch "real" models which are indispensable to advance the understandings of materials from the atomistic and electronic points of view. To this end, novel spectroscopic characterization simulators and a novel quantum-theory-based simulator based on our molecular dynamics simulator and quantum chemical molecular dynamics simulator were developed. In the presentation, we will discuss their effectiveness on theoretical design of PDP materials.
|出版ステータス||Published - 2008 12 1|
|イベント||15th International Display Workshops, IDW '08 - Niigata, Japan|
継続期間: 2008 12 3 → 2008 12 5
|Other||15th International Display Workshops, IDW '08|
|Period||08/12/3 → 08/12/5|
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