April 22 - 26, 2024
Seattle, Washington
May 7 - 9, 2024 (Virtual)

Event Supporters

2024 MRS Spring Meeting
MT03.03.05

SynthVANet for Effective Prediction of Vertically Aligned Nanocomposite Synthesis

When and Where

Apr 23, 2024
5:00pm - 7:00pm
Flex Hall C, Level 2, Summit

Presenter(s)

Co-Author(s)

Jianan Shen1,Tinghan Yang1,Jiayi Liu1,Benson Tsai1,Yizhi Zhang1,Chang Liu1,Shiyu Zhou1,Nirali Bhatt1,Zedong Hu1,Lizabeth Quigley1,Jialong Huang1,Jennifer Neville1,Haiyan Wang1

Purdue University1

Abstract

Jianan Shen1,Tinghan Yang1,Jiayi Liu1,Benson Tsai1,Yizhi Zhang1,Chang Liu1,Shiyu Zhou1,Nirali Bhatt1,Zedong Hu1,Lizabeth Quigley1,Jialong Huang1,Jennifer Neville1,Haiyan Wang1

Purdue University1
The creation of self-assembled vertically aligned nanocomposite (VAN) thin films via a one-step pulsed laser deposition process has garnered tremendous research interests due to their multifunctionality and unique features such as vertical strain control and anisotropic structure. However, synthesizing VAN structures poses significant challenges, often requiring a trial-and-error approach because of their complex mechanics. To address this, we have developed an AI-driven tool to help guide the synthesis of VAN efficiently. This method automatically extracts data from published literature via a large language model (LLM), ChatGPT, combined with lab-collected data to create a comprehensive database. The crystal-graph-based neural network, SynthVANet, utilizes this database for binary classification of VAN and non-VAN structures, achieving high accuracy as validated by precision, recall, and F1 scores. Overall, this model aims to offer researchers a means to assess the probability of success associated with their growth recipes, significantly reducing experimental time and costs.

Keywords

nanostructure

Symposium Organizers

Keith Butler, University College London
Kedar Hippalgaonkar, Nanyang Technological University
Shijing Sun, University of Washington
Jie Xu, Argonne National Laboratory

Symposium Support

Bronze
APL Machine Learning
SCIPRIOS GmbH

Session Chairs

Keith Butler
Shijing Sun
Jie Xu

In this Session