総合論文
ABINIT-MPプログラムの現状と今後
2024 年 23 巻 4 号 p. 85-97
詳細
2024 年 23 巻 4 号 p. 85-97
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.
