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Large-Scale Simulation of Quantum Computational Chemistry on a New Sunway Supercomputer.
Honghui Shang
Li Shen
Yi Fan
Zhiqian Xu
Chu Guo
Jie Liu
Wenhao Zhou
Huan Ma
Rongfen Lin
Yuling Yang
Fang Li
Zhuoya Wang
Yunquan Zhang
Zhenyu Li
Published in:
SC (2022)
Keyphrases
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computational chemistry
databases
massively parallel
real world
mathematical model
small scale
analytical model
decision making
artificial neural networks
building blocks
simulation study
simulation software
quantum computing