NOTICE: Due to a lapse in annual appropriations, most of this website is not being updated. Learn more.
Form submissions will still be accepted but will not receive responses at this time. Sections of this site for programs using non-appropriated funds (such as NVLAP) or those that are excepted from the shutdown (such as CHIPS and NVD) will continue to be updated.
An official website of the United States government
Here’s how you know
Official websites use .gov
A .gov website belongs to an official government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you’ve safely connected to the .gov website. Share sensitive information only on official, secure websites.
Artificial Intelligence for Advanced Functional Materials: Exploring Current and Future Directions
Published
Author(s)
Cristiano Malica, Kostya Novoselov, Kamal Choudhary
Abstract
This perspective addresses the topic of harnessing the tools of Artificial Intelligence (AI) for boosting innovation in functional materials design and engineering as well as discovering new materials for targeted applications in biomedicine, composites, nanoelectronics or quantum technologies. It gives a current view of experts in the field, insisting on challenges and opportunities provided by the development of large materials databases, novel schemes for implementing AI into materials production and characterization as well as progress in the quest of simulating physical and chemical properties of realistic atomic models reaching the trillion atoms scale and with near ab initio accuracy.
Malica, C.
, Novoselov, K.
and Choudhary, K.
(2025),
Artificial Intelligence for Advanced Functional Materials: Exploring Current and Future Directions, Journal of Physics: Materials
(Accessed October 9, 2025)