液晶討論会講演予稿集
Online ISSN : 2432-9959
Print ISSN : 1880-3539
ISSN-L : 1880-3539
第23回 液晶討論会
セッションID: 1AE05
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遺伝的アルゴリズムによるGay-Berneモデル分子のパラメーター決定
*吉田 真史鳥海 弥和竹内 宗孝増田 裕寿佐藤 眞木彦
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The Gay-Berne potential parameters for model liquid crystalline molecules were determined using the Genetic Algorithm. Parameter optimization was carried out for rodlike beads molecules with axial ratio of 3.0 to 5.6 (consisting of 4 to 8 beads) in 4 typical configurations. The Gay-Berne potential for molecules in parallel and end-to-end configurations can be successfully optimized for any axial ratio. Full optimization including T- and cross-configurations is found to require a further expansion of the Gay-Berne potential itself.

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