A paper on non-adiabatic excited state dynamics method for large-scale systems was published in “Special Topic on 65 Years of Electron Transfer” by J. Chem. Phys.

A paper on non-adiabatic excited state dynamics method for large-scale systems was published in "Special Topic on 65 Years of Electron Transfer"“Non-adiabatic molecular dynamics with divide-and-conquer type large-scale excited state calculations”
H. Uratani, H. Nakai, J. Chem. Phys., 152, 224109-1-14 (2020).

The publisher mentioned that the article is freely available to the public for a period of 14 days following its publication online (June 12, 2020).

Paper on Hierarchical Parallelization of DC-DFTB-MD/MTD was adopted in Cover Image of J. Comput. Chem.

Paper on Hierarchical Parallelization of DC-DFTB-MD/MTD was adopted in Cover Image of J. Comput. Chem.
DC-DFTB-MD/MTDの階層的並列化の論文が J. Comput. Chem.の"カバーイメージ"に採用されました。

“Hierarchical parallelization of divide-and-conquer density functional tight-binding molecular dynamics and metadynamics simulations”
Y. Nishimura, H. Nakai, J. Comput. Chem., 41, 1759-1772 (2020).