Pages that link to "Item:Q1763555"

The following pages link to Determination of statistically reliable transport diffusivities from molecular dynamics simula\-tion (Q1763555):

Displaying 9 items.

• A \texttt{Matlab} program to calculate translational and rotational diffusion coefficients of a single particle (Q537023) (← links)
• Thermodynamic driving force for molecular diffusion-lattice density functional theory predictions (Q861379) (← links)
• A generalized Hamiltonian-based algorithm for rigorous equilibrium molecular dynamics simulation in the canonical ensemble (Q930044) (← links)
• Quantification of sampling uncertainty for molecular dynamics simulation: time-dependent diffusion coefficient in simple fluids (Q2374837) (← links)
• A study on the measurement of mean velocity and its convergence in molecular dynamics simulations (Q2890949) (← links)
• Application of the uniform source-and-sink scheme to molecular dynamics calculation of the self-diffusion coefficient of fluids (Q2952100) (← links)
• Bayesian Inference of Atomic Diffusivity in a Binary Ni/Al System Based on Molecular Dynamics (Q3009317) (← links)
• Diffusivity of CH₄In Model Silica Nanopores: Molecular Dynamics and Quasichemical Mean Field Theory (Q4663143) (← links)
• Bin size determination for the measurement of mean flow velocity in molecular dynamics simulations (Q5216514) (← links)