ab initio simulation of raman spectra for biological systems

Honghui Shang, Fang Li, Yunquan Zhang, Ying Liu, Libo Zhang, Mingchuan Wu, Yangjun Wu, Di Wei, Huimin Cui, Xin Liu, Fei Wang, Yuxi Ye, Yingxiang Gao, Shuang Ni, Xin Chen, Dexun Chen. ab initio simulation of raman spectra for biological systems. In Bronis R. de Supinski, Mary W. Hall, Todd Gamblin, editors, SC '21: The International Conference for High Performance Computing, Networking, Storage and Analysis, St. Louis, Missouri, USA, November 14 - 19, 2021. pages 41, ACM, 2021. [doi]

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