“…Uncertainty quantification (UQ) is becoming increasingly important in predictive simulations of materials and devices [1]. While the majority of the early UQ work focused on solid and fluid mechanics, there is growing interest in applying and extending UQ techniques to simulations at the material level, including density functional theory [2,3], molecular dynamics (MD) [4,5,6,7,8], and multiscale methods [9,10,11]. These efforts highlighted the importance of acknowledging uncertainties in model parameters, from measurement or averaging techniques, as well as intrinsic variability of the systems or processes under investigation.…”