The mission of the Navigating the Design Space of Heterostructures (HeteroFAM) project is to revolutionize materials science by advancing the computational modeling and design of 2-D materials and transition metal oxides. 

Leveraging exascale computing, machine learning, and advanced electronic structure methods, the project aims to explore and optimize the properties of complex heterostructures through hypothesis-driven exploration. It focuses on developing tools to enable the rapid discovery of novel materials with enhanced functionalities, with the goal of fostering innovation in next-generation technologies. Through community engagement, open software development, and the creation of user-friendly interfaces, the project strives to make computational tools accessible to researchers across diverse disciplines, thereby accelerating progress in materials science and engineering. The HeteroFAM platform integrates the latest in computational advancements to provide seamless access to high-performance computing environments.

HeteroFAM Acronym Meaning: Heterostructures, Functionality, Advanced Modeling

Heterostructures: Materials made from stacking different 2-D materials or compounds with varying compositions or properties.

Functionality: Focuses on the unique properties or functions that arise from the combination of different materials in heterostructures.

Advanced Modeling: Involves the use of computational and theoretical techniques to predict and understand the behavior of these heterostructures.

Sponsor

Sponsored by the Department of Energy’s Basic Energy Sciences Computational Materials Sciences program.