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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…
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Keywords:
chemistry;
ewald summation;
study ewald;
summation ... See more keywords
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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…
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Keywords:
surface;
dissipative particle;
particle dynamics;
ewald summation ... See more keywords