A formula and numerical study on Ewald 1D summation
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.27051
Abstract: Ewald summation is famous for its successful applications in molecular simulations for systems under 2 dimensional periodic boundary condition (2D PBC, e.g., planar interfaces) and systems under 3D PBC (e.g., bulk). However, the extension to… read more here.
Keywords: chemistry; ewald summation; study ewald; summation ... See more keywords
Simulations of electroosmotic flow in charged nanopores using Dissipative Particle Dynamics with Ewald summation
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2021.116263
Abstract: Abstract We present a Dissipative Particle Dynamics simulation method that allows us to study electroosmotic flows inside cylindrical nanopores with uniform surface charge. To properly treat the long-range electrostatic interactions between all the charges, we… read more here.
Keywords: surface; dissipative particle; particle dynamics; ewald summation ... See more keywords