Data-Driven Strategies for Accelerated Materials Design

Design and Analysis of Step Stress Accelerated Life Tests for Censored Data}

Life testing often is consuming a very long time for testing. Therefore, the engineers and statisticians are looking for some approaches to reduce the running time. There is a recommended method for reducing the time of failure, such that the stress level of the test units will increase, and then they will fail earlier than normal operating conditions. These approaches are called accelerated li...

Autonomous data-driven design of inorganic materials with AFLOW

The expansion of programmatically-accessible materials data has cultivated opportunities for data-driven approaches. Highlyautomated frameworks like AFLOW not only manage the generation, storage, and dissemination of materials data, but also leverage the information for thermodynamic formability modeling, such as the prediction of phase diagrams and properties of disordered materials. In combin...

Adaptive Strategies for Materials Design using Uncertainties

We compare several adaptive design strategies using a data set of 223 M2AX family of compounds for which the elastic properties [bulk (B), shear (G), and Young's (E) modulus] have been computed using density functional theory. The design strategies are decomposed into an iterative loop with two main steps: machine learning is used to train a regressor that predicts elastic properties in terms o...

Fostering strategies in materials design.

Accelerated search for materials with targeted properties by adaptive design

Finding new materials with targeted properties has traditionally been guided by intuition, and trial and error. With increasing chemical complexity, the combinatorial possibilities are too large for an Edisonian approach to be practical. Here we show how an adaptive design strategy, tightly coupled with experiments, can accelerate the discovery process by sequentially identifying the next exper...