Linearly scaling computation of ddPCM solvation energy and forces using the fast multipole method

Mikhalev, Aleksandr; Nottoli, M.; Stamm, Benjamin (Corresponding author)

Melville, NY : American Institute of Physics (2022)
Fachzeitschriftenartikel

In: The journal of chemical physics
Band: 157
Heft: 11
Seite(n)/Artikel-Nr.: 114103