主催: 応用物理学会, 高分子学会, 日本化学会 液晶討論会世話人会
会議名: 第23回 液晶討論会
回次: 23
開催地: 東京工業大学
開催日: 1997/09/25 - 1997/09/27
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.