Research Project

Data Methods, Emulators, and Material Properties

Principal Investigator:

Co-PIs:

Abstract

Data informatics methods can aid scientists in discovering and rapidly identifying pathways for materials discovery. Integrating statistical and geometric methods together with computational simulations, these methods can guide experimental strategies, providing robust interpretations of results, and guiding further experimentation.

Funding Source: Various Sources

Zoom image: A volcano plot suggesting possible new alloys. A volcano plot suggesting possible new alloys.

A volcano plot suggesting possible new alloys.

Zoom image: A Gaussian Process regression of adsorption energy, as a function of the principal isomap coordinates. A Gaussian Process regression of adsorption energy, as a function of the principal isomap coordinates.

A Gaussian Process regression of adsorption energy, as a function of the principal isomap coordinates.