NTChem: A high‐performance software package for quantum mole…

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2014
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  • DOI 10.1002/qua.24860
  • OpenAlex ID W2149263892
  • Type Article
  • Language EN
  • Published 29 Dec 2014
  • Volume 115 (5)
  • Pages 349–359
  • Source International Journal of Quantum Chemist…
  • Publisher Wiley
  • FWCI 3.31
  • Countries 1
  • Institutions 3
  • Added 10 Oct 2025
  • Updated 16 Oct 2026
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NTChem: A high‐performance software package for quantum molecular simulation

Article 2014 EN

In this Software News, the authors introduce NTChem, a new comprehensive software package developed in Japan, for ab initio quantum chemistry calculations. It includes various high‐performance computational methods and functions for quantum molecular simulations. Furthermore, it is designed for high‐performance calculations on a computer with numerous compute nodes. Therefore, it makes optimum use…

68

Citations

94

References

4

Authors

3.31

FWCI

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4 authors
#AuthorInstitutionsORCID
1 Takahito Nakajima Corresponding RIKEN (JP) RIKEN Center for Computational… (JP)
2 Michio Katouda RIKEN (JP) RIKEN Center for Computational… (JP)
3 Muneaki Kamiya RIKEN (JP) RIKEN Center for Computational… (JP) +1
4 Yutaka Nakatsuka RIKEN (JP) RIKEN Center for Computational… (JP) —

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