ジャーナル論文 The Python simulations of chemistry framework: 10 years of an open-source quantum chemistry project
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引用
Qiming Sun, Matthew R. Hermes, Xiaojie Wu, Huanchen Zhai, Xing Zhang, Abdelrahman M. Ahmed, Juan José Aucar, Oliver J. Backhouse, Samragni Banerjee, Peng Bao, Nikolay A. Bogdanov, Kyle Bystrom, Frédéric Chapoton, Ning-Yuan Chen, Ivan Yu. Chernyshov, Helen S. Clifford, Sander Cohen-Janes, Zhi-Hao Cui, Yann D. Damour, Nike Dattani, Linus Bjarne Dittmer, Sebastian Ehlert, Janus Juul Eriksen, Francesco A. Evangelista, Simon A. Ewing, Ardavan Farahvash, Kevin Focke, Yang Gao, Kevin E. Gasperich, Nathan Gillispie, Jonas Greiner, Matthew R. Hennefarth, Jan Hermann, Christopher Hillenbrand, Joonatan Huhtasalo, Basil Ibrahim, Bhavnesh Jangid, Alireza Nejati Javaremi, Andrew J. Jenkins, Yu Jin, Daniel S. King, Derk Pieter Kooi, Jo S. Kurian, Henrik R. Larsson, Bryan Tak Gwong Lau, Seunghoon Lee, Susi Lehtola, Chenghan Li, Hao Li, Jiachen Li, Rui Li, Shuhang Li, Aleksandr O. Lykhin, Ankit Mahajan, Nastasia Mauger, Pablo del Mazo-Sevillano, Jonathan Moussa, Kousuke Nakano, Verena A. Neufeld, Linqing Peng, Hung Q. Pham, Peter Pinski, Pavel Pokhilko, Zhichen Pu, Yubing Qian, Stephen Jon Quiton, Wanja T. Schulze, Thais R. Scott, Aniruddha Seal, James D. Serna, James E. T. Smith, Kori E. Smyser, Terrence Stahl, Chong Sun, Kevin J. Sung, Egor Trushin, Shiv Upadhyay, Ethan A. Vo, Thijs Vogels, Shirong Wang, Tai Wang, Xiao Wang, Xubo Wang, Yuanheng Wang, Mark Williamson, Junjie Yang, Hong-Zhou Ye, Chia-Nan Yeh, Haiyang Yu, Jincheng Yu, Victor Wen-zhe Yu, Chaoqun Zhang, Dayou Zhang, Yichi Zhang, Zijun Zhao, Zehao Zhou, Andrew J. Zhu, Tianyu Zhu, Timothy C. Berkelbach, Laura Gagliardi, Sandeep Sharma, Alexander Yu. Sokolov, Garnet Kin-Lic Chan. The Python simulations of chemistry framework: 10 years of an open-source quantum chemistry project. The Journal of Chemical Physics. 2026, 165 (10), 102502. https://doi.org/10.1063/5.0337441

説明:

(abstract)

米国の研究者を中心として開発が進められている量子化学計算のオープンソースソフトウェア「PySCF」(https://github.com/pyscf/pyscf) に関するソフトウェア論文.

権利情報:

キーワード: qunatum chemistry

刊行年月日: 2026-09-14

出版者: AIP Publishing

掲載誌:

  • The Journal of Chemical Physics (ISSN: 00219606) vol. 165 issue. 10 102502

研究助成金:

  • U.S. Department of Energy, Office of Science, Basic Energy Sciences DE-SC0026341
  • U.S. Department of Energy, Office of Science, Basic Energy Sciences DE-SC0023382
  • U.S. Department of Energy, Office of Science, Basic Energy Sciences DE-SC0022572
  • Air Force Office of Scientific Research FA9550-20-1-0360
  • Office of Advanced Cyberinfrastructure OAC-2513474
  • Office of Advanced Cyberinfrastructure OAC-2513473
  • Office of Advanced Cyberinfrastructure OAC-2513475
  • Office of Advanced Cyberinfrastructure OAC-2513476
  • Division of Chemistry CHE-2044648
  • Division of Chemistry CHE-2435218
  • Division of Chemistry CHE-2312105

原稿種別: 査読前原稿 (Author's original)

MDR DOI:

公開URL: https://doi.org/10.1063/5.0337441

関連資料:

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更新時刻: 2026-09-11 11:25:23 +0900

MDRでの公開時刻: 2026-09-11 14:26:06 +0900

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