Jun 22 – 25, 2025
University of South Dakota
US/Central timezone

High-Throughput Calculations of Phase Change Materials for Energy-Efficient Computing

Not scheduled
20m
University of South Dakota

University of South Dakota

The Role of LLMs, Scientific ML, and Data-Driven Approaches in Materials Innovation

Speaker

Gabriella Townsley (University of Kansas)

Description

Phase change materials (PCMs), which can be reversibly switched between their high-resistance and low-resistance phases, are promising for non-volatile, high-density data storage and research in non-von Neumann computing architectures. Recent discovery and development of novel PCM superlattices consisting of various layers have demonstrated unprecedented low power and high-density at nanoscale. However, the properties of these layered PCMs are largely under-explored. In this work, the atomic and electronic properties of layered PCMs are explored using high-throughput Density Functional Theory (DFT) calculations. The physical understanding on the structure-property relationships will inform and train a machine learning model for the discovery of novel PCMs for energy-efficient memory devices.

Primary author

Gabriella Townsley (University of Kansas)

Co-authors

Prof. Qunfei Zhou (University of Kansas) Mr Sebastian Hortua (University of Kansas)

Presentation materials

There are no materials yet.