Journal of Computer Chemistry, Japan
Online ISSN : 1347-3824
Print ISSN : 1347-1767
ISSN-L : 1347-1767

This article has now been updated. Please use the final version.

Current Status and Future of the ABINIT-MP Program
Yuji MOCHIZUKI, Tatsuya NAKANO, Kota SAKAKURA, Hideo DOI, Koji OKUWAKI, Toshihiro KATO, Hiroyuki TAKIZAWA, Satoshi OHSHIMA, Tetsuya HOSHINO, Takahiro KATAGIRI
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JOURNAL FREE ACCESS FULL-TEXT HTML Advance online publication

Article ID: 2024-0022

The final version of this article is now available: Vol. 23 (2024), No. 4 pp. 92-104
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Abstract

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.

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