[Published online Journal of Computer Chemistry, Japan Vol.23, 92-104, by J-STAGE]
<Title:> ABINIT-MPプログラムの現状と今後
<Author(s):> 望月 祐志, 中野 達也, 坂倉 耕太, 土居 英男, 奥脇 弘次, 加藤 季広, 滝沢 寛之, 大島 聡史, 星野 哲也, 片桐 孝洋
<Corresponding author E-Mill:> fullmoon(at)rikkyo.ac.jp
<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.
<Keywords:>
<URL:> https://www.jstage.jst.go.jp/article/jccj/23/4/23_2024-0022/_article/-char/ja/
<Title:> ABINIT-MPプログラムの現状と今後
<Author(s):> 望月 祐志, 中野 達也, 坂倉 耕太, 土居 英男, 奥脇 弘次, 加藤 季広, 滝沢 寛之, 大島 聡史, 星野 哲也, 片桐 孝洋
<Corresponding author E-Mill:> fullmoon(at)rikkyo.ac.jp
<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.
<Keywords:>
<URL:> https://www.jstage.jst.go.jp/article/jccj/23/4/23_2024-0022/_article/-char/ja/
