EDAの手法を用いてDFTB aMDを実装した論文がCPLのeditor’s choiceとなりました。

“Extension of quantum-chemistry-based accelerated molecular dynamics by decomposing total energy into constituent atoms: A case study for density functional tight-binding simulations of condensed phase systems”
Y.Nishimura, H.Nakai, Chem. Phys. Lett., 882, 142474 (2026). (Editor’s Choice)