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Current Status and Future of the ABINIT-MP Program
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- MOCHIZUKI Yuji
- Faculty of Science, Rikkyo University Institute of Industrial Science, The University of Tokyo
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- NAKANO Tatsuya
- Department of HPC Support, Research Organization for Information Science and Technology
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- SAKAKURA Kota
- Foundation for Computational Science
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- DOI Hideo
- Faculty of Science, Rikkyo University
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- OKUWAKI Koji
- Faculty of Science, Rikkyo University JSOL Corporation
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- KATO Toshihiro
- NEC Corporation
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- TAKIZAWA Hiroyuki
- Tohoku University Cyberscience Center
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- OHSHIMA Satoshi
- Research Institute for Information Technology, Kyushu University
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- HOSHINO Tetsuya
- Information Technology Center, Nagoya University
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- KATAGIRI Takahiro
- Information Technology Center, Nagoya University
Bibliographic Information
- Other Title
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- ABINIT-MPプログラムの現状と今後
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Description
<p>The fragment molecular orbital (FMO) program ABINIT-MP has a quarter-century history, and related research and development of the Open Version 2 series is currently underway. This paper first summarizes the current status of the latest Revision 8 (released on August 2023). It then describes future improvements and enhancements, including GPU support. The connection with coarse-grained simulation (dissipative particle dynamics) and the possibility of cooperation with quantum computation are also touched upon.</p>
Journal
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- Journal of Computer Chemistry, Japan
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Journal of Computer Chemistry, Japan 23 (4), 85-97, 2024
Society of Computer Chemistry, Japan
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Details 詳細情報について
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- CRID
- 1390021218877909632
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- ISSN
- 13473824
- 13471767
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- Text Lang
- ja
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- Data Source
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- JaLC
- Crossref
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- Abstract License Flag
- Disallowed