Designing functional materials requires a deep search through multidimensional spaces for
system parameters that yield desirable material properties. For cases where conventional …

For more than two decades, there has been increasing interest in developing frameworks for
the accelerated discovery and design of novel materials that could enable promising and …

Bayesian Optimization (BO) has emerged as a powerful framework to efficiently explore and
exploit materials design spaces. To date, most BO approaches to materials design have …

The design of alloys for use in gas turbine engine blades is a complex task that involves
balancing multiple objectives and constraints. Candidate alloys must be ductile at room …

The design of materials and identification of optimal processing parameters constitute a
complex and challenging task, necessitating efficient utilization of available data. Bayesian …

Microstructure characterization and reconstruction (MCR) is an important prerequisite for
empowering and accelerating integrated computational materials engineering. Much …

Abstract Knowledge of phase diagrams is essential for material design as it helps in
understanding microstructure evolution during processing. The determination of phase …

The focus of goal-oriented materials design is to find the necessary chemistry/processing
conditions to achieve the desired properties. In this setting, a material's microstructure is …

Benefiting from advanced features like high stiffness-to-weight ratios, sandwich structures
are widely used in aerospace for primary and secondary structures. As tasks grow more …

Understanding the phase stability of a chemical system constitutes the foundation of
materials science. Knowledge of the equilibrium state of a system under arbitrary …