Theory-Driven Protocols for Replacing Elemental Composition of Strategic Materials

Period of Performance: 09/16/2014 - 09/16/2016

$729K

Phase 2 STTR

Recipient Firm

Questek Innovations LLC
1820 Ridge Ave. Array
Evanston, IL 60201
Firm POC
Principal Investigator

Research Institution

Northwestern University
1801 Maple Ave.
Evanston, IL 60201
Institution POC

Abstract

In this STTR program, QuesTek Innovations LLC, a leader in ICME (Integrated Computational Materials Engineering), will partner with Professor Chris Wolverton from Northwestern University to develop a theory-driven compound discovery methodology. Our unique approach will involve high throughput DFT and data mining based approaches to both materials system screening and crystal structure prediction. At the end of the STTR, a proof of concept demonstration will be performed that validate the ability of the approach to discover new compounds.