Research
My research focuses on developing innovative solutions for sustainable chemical processes, renewable energy systems, and supply chain resilience. Below are my primary research endeavors.
Research Details
Supply Chain Resilience Analysis – UIUC
Summary
Conducting supply chain mapping and resilience analysis of high-performance polymer materials, with a focus on C5-derived materials as alternatives to petroleum-based BTX chemicals. Developing data visualizations and analytical frameworks using Python to identify vulnerabilities and commercial opportunities in polymer supply chains and markets.
Key Accomplishments
- •Conducting comprehensive supply chain mapping of high-performance polymer materials
- •Developing Python-based data visualizations to identify market vulnerabilities and opportunities
- •Analyzing C5-derived alternatives to petroleum-based BTX chemicals for sustainability
- •Creating analytical frameworks to assess commercial viability of alternative materials
Impact
Contributing to the development of more sustainable polymer supply chains by identifying alternatives to petroleum-based chemicals, supporting the transition to renewable feedstocks and more resilient manufacturing processes.
Research Details
Computational Catalysis & Fuel Cells – UIUC
Summary
Built computational catalysis surfaces with ASE/VASP and ran 73k CPU-hour DFT simulations on the Illinois Campus Cluster. Quantified stability of 40+ configurations in reducing environments, identifying optimal aMOC surfaces for hydrogen fuel cells.
Key Accomplishments
- •Built computational catalysis surfaces using ASE/VASP simulation packages
- •Ran 73,000 CPU-hour DFT simulations on the Illinois Campus Cluster
- •Quantified stability of 40+ surface configurations in reducing environments
- •Identified optimal aMOC surfaces for hydrogen fuel cell applications
Impact
Contributing to the design of next-generation hydrogen fuel cell catalysts through computational modeling, enabling more efficient and durable clean energy systems for the hydrogen economy.
Research Details
Techno-Economic Analysis – Argonne National Lab
Summary
Engineered a digital prototype of an advanced separation system (stacked-electrode design) in TinkerCAD. Built and automated analysis pipeline in Python, cutting process time by 90%, supporting commercial feasibility testing for stakeholders.
Key Accomplishments
- •Engineered digital prototype of advanced stacked-electrode separation system in TinkerCAD
- •Built and automated Python analysis pipeline, reducing process time by 90%
- •Delivered first techno-economic model for novel biofuel production process
- •Synthesized lab data and insights from 10+ studies into clear cost framework
Impact
Accelerating the industrial scaling of sustainable biofuel production through economic modeling and process optimization, supporting the transition to renewable energy sources.
Publications
Heat‑Transfer Materials for Next‑Generation Concentrated Solar Power Systems
Liu, Z. (2025, July). Technical Report, ResearchGate.
View PublicationOpen Volumetric Air Receiver Designs and Opportunities for Concentrated Solar Power Systems
Liu, Z. (2025, July). Technical Report, ResearchGate.
View PublicationTechnical Skills
Programming & Computational
- •Python (pandas, NumPy)
- •MATLAB
- •Bash Scripting, SLURM
- •VASP, ASE
- •Computational Cluster
Analysis & Laboratory
- •Techno-Economic Analysis (TEA)
- •Life Cycle Analysis (LCA)
- •Lab Chemistry (IR, NMR, UV-Vis, HPLC)
- •Data analysis and visualization
Product & Design
- •Human-Centered Design
- •Agile sprints
- •Adobe Premiere Pro
- •Microsoft Office 365