Yue Li 李越
PhD Candidate
School of Physics, Peking University
I am a PhD candidate at the School of Physics, Peking University, working at the intersection of AI and materials science.
My research focuses on developing machine learning and automation frameworks for the synthesis and characterization of carbon nanomaterials, including carbon nanotubes and graphene.
I build tools that bridge computational predictions with experimental validation — from AI-driven catalyst design to automated CVD growth systems and high-throughput optical characterization methods.
Research
My work sits at the intersection of physics, chemistry, and computer science — using machine learning and automation to accelerate the discovery and synthesis of nanomaterials.
AI for Science
Machine learning models for materials synthesis optimization, catalyst design, and automated experimental workflows.
Carbon Nanomaterials
Synthesis and characterization of carbon nanotubes (CNTs) and graphene via chemical vapor deposition (CVD) and ion implantation.
Lab Automation
Closed-loop autonomous systems integrating ML predictions with robotic CVD experiments for accelerated materials discovery.
Characterization Methods
High-throughput optical and spectroscopic techniques for nanomaterial quality assessment at wafer scale.
Publications
2026(2 papers)
Beyond Beryllium: AI-Accelerated Materials Discovery for Interstellar Spacecraft Shielding
Yue Li, Xu Pan, Kaiyuan Guo
A non-equilibrium strategy for the general synthesis of single-atom catalysts
Yue Li, Yang Xu, Yunbiao Zhao, Mingwei Cui, Xiner Chen, Liu Qian, Jin Zhang, Xueting Feng, Ziqiang Zhao
2025(7 papers)
Transforming the synthesis of carbon nanotubes with machine learning models and automation
Yue Li, Shurui Wang, Zhou Lv, Zhaoji Wang, Yunbiao Zhao, Ying Xie, Yang Xu, Liu Qian, Yaodong Yang, Ziqiang Zhao, Jin Zhang
Nano-seeding catalysts for high-density arrays of horizontally aligned carbon nanotubes with wafer-scale uniformity
Ying Xie, Yue Li, Zhisheng Peng, Chengyu Wang, Zanlin Qiu, Xinyi Cai, Tinglu Song, Jia Si, Xiaoxu Zhao, Liu Qian, Ziqiang Zhao, Jin Zhang
Electric-Field-Assisted PECVD for Growth of High-Purity Horizontally Aligned Semiconducting Carbon Nanotube Arrays
Mingzhi Zou, Zhisheng Peng, Yue Li, Pai Li, Mingwei Cui, Zhe Liu, Liu Qian, Jin Zhang
Ion implantation-driven high-quality graphene growth on insulating substrates with catalyst spatial confinement
Yang Xu, Yue Li, Liu Qian, Shurui Wang, Yunbiao Zhao, Ziqiang Zhao
Artificial Intelligence-Enabled Holistic Design of Catalysts Tailored for Semiconducting Carbon Nanotube Growth
Liu Qian, Yue Li, Ying Xie, Jian Zhang, Pai Li, Yue Yu, Zhe Liu, Feng Ding, Jin Zhang
Triggering Lattice Oxygen Release for Semiconducting Carbon Nanotube Array Synthesis
Zhe Liu, Hao Li, Zhisheng Peng, Mingzhi Zou, Zhenghang Yu, Yue Li, Zanlin Qiu, Xiucai Sun, Liu Qian, Jin Zhang
Atomic Interface Engineering of Battery Current Collectors via Ion Implantation
Yue Li, Xuanguang Ren, Xueting Feng, Lingcheng Kong, Fengping Luo, Yang Xu, Liu Qian, Yusheng Ye, Ziqiang Zhao, Xin Gao, Jin Zhang
2024(1 paper)
Calibrated absolute optical contrast for high-throughput characterization of horizontally aligned carbon nanotube arrays
Yue Li, Ying Xie, Jianping Wang, Yang Xu, Shurui Wang, Yunbiao Zhao, Liu Qian, Ziqiang Zhao, Jin Zhang
2023(1 paper)
Pave the way to the batch production of SWNT arrays for carbon-based electronic devices
Ying Xie, Yue Li, Ziqiang Zhao, Jin Zhang
2022(1 paper)
Highly-defective graphene as a metal-free catalyst for chemical vapor deposition growth of graphene glass
Yue Li, Yong Liu, Yunbiao Zhao, Yifan Zhang, Yi Chen, Qining Wang, Ziqiang Zhao
2021(3 papers)
Ion implantation assisted synthesis of graphene on various dielectric substrates
Yunbiao Zhao, Yue Li, Yi Chen, Yuhan Chen, Danqing Zhou, Ziqiang Zhao
A graphite enclosure assisted synthesis of high-quality patterned graphene on 6H-SiC by ion implantation
Yuhan Chen, Yunbiao Zhao, Dong Han, Dongpo Fu, Yi Chen, Danqing Zhou, Yue Li, Xu Wang, Ziqiang Zhao
Growth mechanism of transfer-free graphene synthesized from different carbon sources and verified by ion implantation
Yi Chen, Yunbiao Zhao, Danqing Zhou, Yue Li, Qining Wang, Ziqiang Zhao
2020(1 paper)
Direct synthesis of single-layer graphene films on quartz substrate by a nanoparticle-assisted method
Yue Li, Yunbiao Zhao, Yi Chen, Yuhan Chen, Danqing Zhou, Ziqiang Zhao
2019(1 paper)
A facile approach to direct growth of layer-tunable graphene on Ge substrates
Yunbiao Zhao, Dong Han, Xu Wang, Zhaoyi Hu, Yi Chen, Yuhan Chen, Danqing Zhou, Yue Li, EG Fu, Ziqiang Zhao
Open Source
Tools I build and maintain in the open.
Scan, sync & share AI agent skills across every platform — from one local dashboard. Works with Claude Code, Codex, Gemini CLI, and more.
Automated bulk export of Google Gemini conversation history to individual JSON files using Playwright and browser automation.
Save & restore your entire Windows desktop session with one command — GUI apps, terminal processes, Claude Code instances, and Explorer windows.
170+ ready-to-use AI agent skills for research, science, engineering, and analysis. Covers 250+ databases and 60+ scientific Python packages.