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UOS

PhD in AI-Driven Soft Materials Design for Energy and Circular Economy

University of South Carolina Department of Chemical Engineering
✓ Fully Funded 🎓 Chemical Engineering 🎓 Computer Science 🎓 Materials Science machine learning generative ai molecular simulation chemical engineering soft materials polymer electrolytes plastic upcycling multiscale modeling

Explore AI-driven approaches combining molecular simulation and generative deep learning to design next-generation soft materials. Develop sustainable polymers and electrolytes with enhanced stability and scalability targeting energy and waste reduction.

AI-generated overview

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Why This Research Matters

This research supports environmental sustainability through designing advanced soft materials that enable plastic waste upcycling and improved energy device components. By integrating AI with materials modeling, it offers scalable solutions vital for a circular economy and reduced ecological footprint.

machine learning molecular simulations soft materials chemical engineering

Project Description

Project Overview

This project explores the design of soft materials leveraging AI-driven computational methods for applications in energy and circular economy challenges. It targets plastic upcycling, circular polymers, polymer electrolytes, ion-conducting membranes, and multiscale modeling of soft materials in complex fluids and processing.

What You Will Do

You will develop and integrate molecular simulations, machine learning approaches—including generative AI and geometric/topological deep learning—and theoretical modeling to guide the design of materials that are high-performing, synthesizable, stable, and scalable. The research will require combining computational chemistry, materials science, and AI techniques.

Expected Outcomes

The project aims to produce novel AI methodologies that enable accelerated discovery and design of sustainable soft materials. Results will contribute to efficient plastic recycling, novel polymer electrolytes for energy devices, and enhanced understanding of soft material behavior at multiple scales.

Why This Matters

Addressing urgent environmental issues, this research pushes the frontier of materials science to enable sustainable polymer solutions that reduce plastic waste and enhance energy technologies. Advancing AI in materials design also supports scalable production of eco-friendly materials critical for a circular economy.

Entry Requirements

Bachelor's degree in chemical engineering or related field; computational background preferred but not required.

How to Apply

Ph.D. Applicants should email a single PDF including CV, one-page cover letter, transcripts, and references to sjiang87@shenglijiang.com with subject line "[Prospective Ph.D. – Your Name]". Postdoc applicants email CV, cover letter, publications, and references to the same address with subject line "[Prospective Postdoc – Your Name]".

Eligibility

UK/Home
EU
International

Supervisor Profile

DS
Dr. Shengli (Bruce) Jiang
University of South Carolina, Department of Chemical Engineering
785 Citations
14 h-index
Google Scholar

Dr. Shengli (Bruce) Jiang is an Assistant Professor at the University of South Carolina in Chemical Engineering, specializing in AI-driven computational design of soft materials. His research integrates molecular simulation, machine learning, and theory to develop sustainable materials for energy and environmental applications. With a growing profile, he advances intersections of materials science and AI to address critical circular economy challenges.

Key Publications

2018 103 citations
Understanding the electrochemical properties of naphthalene diimide: implication for stable and high-rate lithium-ion battery electrodes
This paper elucidates the electrochemical behavior of naphthalene diimide, enabling improved design of stable, high-rate lithium-ion battery electrodes.
2021 74 citations
Using ATR-FTIR spectra and convolutional neural networks for characterizing mixed plastic waste
The work applies machine learning to ATR-FTIR spectral data to effectively classify mixed plastic waste, advancing waste management technology.
2023 63 citations
Capturing molecular interactions in graph neural networks: a case study in multi-component phase equilibrium
This study demonstrates the use of graph neural networks to model molecular interactions, improving predictions in multi-component phase equilibrium.
2021 62 citations
Accurate characterization of mixed plastic waste using machine learning and fast infrared spectroscopy
Combining machine learning with fast IR spectroscopy allows for rapid and precise identification of mixed plastic waste streams.
2019 59 citations
Highly compact, free-standing porous electrodes from polymer-derived nanoporous carbons for efficient electrochemical capacitive deionization
Develops compact porous electrodes from polymer-derived nanoporous carbons, enhancing performance in capacitive deionization water treatment.

Research Contributions

Application of machine learning methods such as convolutional neural networks and graph neural networks to characterize complex chemical systems and materials.
These methods improve accuracy and speed in analyzing chemical data, enabling better material design and environmental solutions.
Advancement in the understanding and design of electrochemical materials such as electrodes for lithium-ion batteries and capacitive deionization.
Contributes to the development of more efficient energy storage and water purification technologies.
Development of tools for rapid and accurate classification and characterization of mixed plastic waste using infrared spectroscopy coupled with machine learning.
Facilitates improved recycling processes and waste management.

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