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Numerical simulations were employed to investigate the design parameters.
Molecular dynamics simulations were employed to assess the stability and reliability of the proposed binding mode.
DFT calculations and Monte Carlo simulations were employed to find out these indicators.
Molecular dynamics simulations were employed to investigate water desalination through functionalized nanoporous graphene membranes.
In this work, molecular dynamics simulations were employed to investigate the motion behavior of water nanodroplet on wetting gradient surface.
Grand canonical Monte Carlo (GCMC) simulations were employed to compute the adsorption of hydrogen gas in zeolitic imidazolate frameworks (ZIFs).
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Dynamic simulations are employed to evaluate the sensitivity index.
Computer simulations are employed to illustrate the theoretical results.
Simulations are employed to illustrate the magnitude of these penalties.
Finally, numerical simulations are employed to justify the validity of our theoretical analysis.
Finally numerical simulations are employed to elaborate on performance of the encoded system.
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