| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
|
Innovations in Energy Materials: Unveiling Future Possibilities of Computational Modelling and Atomically Controlled Experiments
|
| Presentation Title |
A Journey from Atoms to Materials: Designing Functional Materials for Energy and Microelectronics |
| Author(s) |
Prashun Gorai |
| On-Site Speaker (Planned) |
Prashun Gorai |
| Abstract Scope |
Technological developments often rely on specifically designed materials and molecules. The increasing pace of technology development, coupled with rising energy needs and climate challenges, requires faster approaches for materials discovery. Historically, materials have been discovered by trial-and-error approaches that rely on chemical intuition. Designing materials with tailored properties is challenging because of the astronomical number of possible compounds and structures, and materials behaviors that do not adhere to standard chemical intuition. In this talk, I will share examples from our work on the computational discovery and design of functional materials, specifically focusing on ferroelectrics and solid-state energy storage. We employ first-principles computations and machine learning in close collaboration with experiments to discover novel materials and generate new materials design principles, with the goal to accelerate materials discovery and guide experimental realization. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, Machine Learning, Energy Conversion and Storage |