2 papers
cond-mat.mtrl-sci2026
Bayesian Methods for the Investigation of Temperature-Dependence in Conductivity
Andrew R. McCluskey, Samuel W. Coles, Benjamin J. Morgan
Temperature-dependent transport data, including diffusion coefficients and ionic conductivities, are routinely analysed by fitting empirical models such as the Arrhenius equation.…
cond-mat.stat-mech2026
Accurate Estimation of Diffusion Coefficients and their Uncertainties from Computer Simulation
Andrew R. McCluskey, Samuel W. Coles, Benjamin J. Morgan
Self-diffusion coefficients, , are routinely estimated from molecular dynamics simulations by fitting a linear model to the observed mean-squared displacements (MSDs) of mobil…