@Article{icces.2009.013.063,
AUTHOR = {Kenji Tsuruta},
TITLE = {Hybrid Quantum/Classical Approaches of Nano- and Meta-Materials},
JOURNAL = {The International Conference on Computational \& Experimental Engineering and Sciences},
VOLUME = {13},
YEAR = {2009},
NUMBER = {3},
PAGES = {63--64},
URL = {http://www.techscience.com/icces/v13n3/32454},
ISSN = {1933-2815},
ABSTRACT = {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.},
DOI = {10.3970/icces.2009.013.063}
}