Unique properties in artificially designed new materials are demonstrated via multiple-scale computational techniques. A density-functional/classical molecular-dynamics method is employed to investigate segregation dynamics of dopants in nanostructured ceramics/semiconductors. We also develop a classical electromagnetic simulation algorithm combining with an electronic-structure calculation for analysis on optical properties of meta-materials. We demonstrate that these novel algorithms are highly optimized for ultra-scale parallel computers.
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APA Style
Tsuruta, K. (2009). Hybrid quantum/classical approaches of nano- and meta-materials. The International Conference on Computational & Experimental Engineering and Sciences, 13(3), 63-64. https://doi.org/10.3970/icces.2009.013.063
Vancouver Style
Tsuruta K. Hybrid quantum/classical approaches of nano- and meta-materials. Int Conf Comput Exp Eng Sciences . 2009;13(3):63-64 https://doi.org/10.3970/icces.2009.013.063
IEEE Style
K. Tsuruta, "Hybrid Quantum/Classical Approaches of Nano- and Meta-Materials," Int. Conf. Comput. Exp. Eng. Sciences , vol. 13, no. 3, pp. 63-64. 2009. https://doi.org/10.3970/icces.2009.013.063
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