Xie Lab trains students at the intersection of artificial intelligence, computational materials science, materials informatics, and materials design.
Principal investigator
Wei Xie leads a computational materials group that develops research workflows, mentoring practices, and collaborations for AI-enabled materials discovery.
Associate Researcher, Materials Genome Institute, Shanghai University
Research interests center on intelligent representations of matter: combining physical simulation, machine learning force fields, graph neural networks, and language-model workflows to understand mechanisms and guide useful materials discovery.
Current members
Current students work across AI for materials, polymer informatics, phase stability, finite-temperature dynamics, and intelligent materials design.
Master student, 2023, Physics
Polymer materials intelligent computation and design.
Jointly supervised master student, 2023, Computer Science
Polymer materials intelligent computation and design.
Master student, 2024, Physics
Phase-stability calculations for inorganic materials.
Jointly supervised master student, 2024, Computer Science
Polymer materials intelligent computation and design.
Master student, 2025, Physics
Kinetic-process calculations for inorganic materials.
Master student, 2022, Materials Design Science and Engineering
Polymer materials.
Undergraduate mentoring
Undergraduate mentoring includes academic advising and full-program mentoring for students in materials design and related tracks.
Alumni
Alumni continue their work in industry, research, education, and advanced study.
| Class | Name | Role | Entrance from | Exit to | Last known at |
|---|---|---|---|---|---|
| 2020-2023 | 王宪琪 | Master student | Southwest Petroleum University | Primarius Technologies | Primarius Technologies |
| 2020-2023 | 王泽淳 | Master student | Shanghai Maritime University | BYD | GAC Group |
| 2021-2024 | 赵洋 | Master student | Southwest University of Science and Technology | Shanghai Huali | Shanghai Huali |
| 2022-2025 | 史腾玉 | Master student | Tianjin Normal University | Jingjin Industrial New City School, Wuqing District, Tianjin | Jingjin Industrial New City School, Wuqing District, Tianjin |
| 2022-2025 | 陈力栋 | Master student | North China Electric Power University | Amap, Alibaba Group | Amap, Alibaba Group |
| 2024-2025 | 潘一帆 | Research assistant | Shanghai University | The University of Hong Kong | The University of Hong Kong |
| 2023-2026 | 陈意齐 | Master student | Henan Normal University | SMIC | SMIC |
| 2023-2026 | 焦盼雨 | Master student | Hebei Normal University | Huawei Beijing | Huawei Beijing |
| 2025-2026 | 李正阳 | Research assistant | Shanghai University | Johns Hopkins University | Johns Hopkins University |
| 2022-2026 | 胡锦昶 | Undergraduate student | Shanghai University | Shanghai University | Shanghai University |
Gallery
Moments from the lab and group activities over recent years.
