Frequency-dependent hydrodynamic finite size correction in molecular simulations reveals the long-time hydrodynamic tail
Frequency-dependent hydrodynamic finite size correction in molecular simulations reveals the long-time hydrodynamic tail
Finite-size effects are challenging in molecular dynamics simulations because they have significant effects on computed static and dynamic properties, in particular diffusion constants, friction coefficients, and time- or frequency-dependent response functions. We investigate the influence of periodic boundary conditions on the velocity autocorrelation function and the frequency-dependent friction of a …