Since its development in the 1970s, the rechargeable alkali-ion battery has proven to be a
truly transformative technology, providing portable energy storage for devices ranging from …

The aim of this contribution is to explain in a straightforward manner how Bayesian inference
can be used to identify material parameters of material models for solids. Bayesian …

The importance of configurational, vibrational, and electronic excitations in crystalline solids
of technological interest makes a rigorous treatment of thermal excitations an essential …

Measuring the similarity between two arbitrary crystal structures is a common challenge in
crystallography and materials science. Although there are an infinite number of ways to …

CASM is a software package that enables first-principles based studies of crystalline
materials. It has been designed to treat coupled chemical, mechanical, vibrational, and …

High entropy alloys (HEAs) are promising next-generation materials due to their various
excellent properties. To understand these properties, it's necessary to characterize the …

This contribution discusses Bayesian inference (BI) as an approach to identify parameters in
viscoelasticity. The aims are:(i) to show that the prior has a substantial influence for …

The TiNb2O7 Wadsley–Roth phase is a promising anode material for Li-ion batteries,
enabling fast cycling and high capacities. While already used in commercial batteries, many …

This work addresses a comprehensive review of the recent efforts for uncertainty
quantification in small-scale materials science. Experimental and computational studies for …

Cluster expansion (CE) provides a general framework for first-principles-based theoretical
modeling of multicomponent materials with configurational disorder, which has achieved …