Journal of East China Normal University(Natural Sc ›› 2018, Vol. 2018 ›› Issue (4): 109-119.doi: 10.3969/j.issn.1000-5641.2018.04.011

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High performance computing in quantum chemistry

WANG Tao   

  1. Shanghai Supercomputer Center, Shanghai 230026, China
  • Received:2017-07-10 Online:2018-07-25 Published:2018-07-19

Abstract: High performance computing is widely used for chemical simulations. This paper reviews the current state of parallel computation methods in quantum chemistry; discusses the features, software technology and parallel implements of various quantum chemistry methods; and considers the prospects for the future.

Key words: high performance computing application, quantum chemistry, parallel computing

CLC Number: