亿.

Hong Gao1, Satoshi Imamura1, Akihiko Kasagi1

  • 1Computing Laboratory, Fujitsu Laboratories, Fujitsu LimitedRINGGOLD, Kawasaki City, Kanagawa, 211-0053, Japan.

概括

本研究介绍了一种使用混合并行实现的分布式全配置交互 (FCI) 方法. 这种方法可以实现更大,更精确的量子化学计算,比如创纪录的C3H8/STO-3G能量计算.

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Stability of Equilibrium Configuration01:23

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