| About this Abstract |
| Meeting |
MS&T24: Materials Science & Technology
|
| Symposium
|
High Entropy Materials: Concentrated Solid Solutions, Intermetallics, Ceramics, Functional Materials and Beyond V
|
| Presentation Title |
Advancements in Interatomic Potential Development for High Entropy Materials |
| Author(s) |
Ridwan Sakidja, Matthew Bruenning, Gaige Riggs, Anika Tabassum, Jonathan Kliewer |
| On-Site Speaker (Planned) |
Ridwan Sakidja |
| Abstract Scope |
High entropy materials, spanning a wide range of classes from metals to intermetallic to ceramics, offer great solutions for many advanced scientific and technological applications. The high-dimensional and multi-centered nature of interatomic interactions inevitably poses significant challenges for parameterization, which are not easily addressed. In this talk, we will assess the applications of both classical and Machine Learning Interatomic Potentials (MLIP) optimized through passive and/or active learning protocols. Additionally, we'll delve into the emerging potential of pretrained Universal MLIPs, which have the capacity to substantially reduce training costs. Moreover, we'll discuss the importance of balancing accuracy and scalability in atomic modeling, and how both classical and MLIP methods can contribute. Lastly, we'll examine their role in democratizing Artificial Intelligence, making it more accessible for both research and education in Materials Science. |