Vision
To unravel the mysteries of materials at all scales, from quantum phenomena to microstructure, empowering the design of revolutionary materials and processes for a sustainable energy future.
Mission
To conduct fundamental research in microstructure modeling, quantum materials and information sciences, and materials design and discovery to achieve a deeper understanding of materials and processes to accelerate their development for real-world applications.
This section encompasses the following research groups:
Materials Theory Group — Advances the understanding of materials properties, especially strongly correlated materials, to design new materials with complex and emergent functionalities by application and development of theoretical and computational approaches.
Microstructural Evolution Modeling Group — Develops and applies advanced materials models to understand microstructural evolution during solidification and processing.
R&D Scope
The Materials Theory, Modeling and Simulation Section applies advanced computational and data analytic techniques to guide the synthesis, design and discovery of novel materials from the level of atoms to the level of materials microstructure. Overarching Basic and Applied Scientific themes seek to: (i) understand and control emergent phenomena, (ii) design and development of structural materials, and (iii) simulate out-of-equilibrium and under extreme environment conditions. Signature capabilities include: Groundstate electronic structure calculations, quantum many body theories, thermodynamic phase diagrams, additive process modeling and ion dynamics.
