Wentao Li

PhD student, Department of Chemical Engineering, Tsinghua University

Joined

January 2025

Names

Wentao Li (Preferred)

Emails

****@mails.tsinghua.edu.cn (Confirmed)

Personal Links

ORCID

Career & Education History

PhD student

Department of Chemical Engineering, Tsinghua University (mails.tsinghua.edu.cn)

2024 – 2029

Advisors, Relations & Conflicts

No relations added

Expertise

Computer Science

AI for material science

Present

Publications

SemiMat: A Semi-Supervised Toolkit for Data-Scarce Materials Property Prediction
Wentao Li, Yizhe Chen, Xiaonan Wang
- AI4X-AC 2026 Oral
- Readers: Everyone
Beyond Greedy Acquisition: A Distribution-Aware Active Learning Framework for Molecular Discovery
Ruixuan Chen, Zhixuan Song, Wentao Li, Zhao Leyi, Kai Zhao, Xiaonan Wang
- AI4X-AC 2026 Poster
- Readers: Everyone
AdsorbFlow: energy-conditioned flow matching enables fast and realistic adsorbate placement
Jiangjie Qiu, Wentao Li, Honghao Chen, Yi Shen Tew, Leyi Zhao, Xiaonan Wang
- AI4X-AC 2026 Oral
- Readers: Everyone
Bias as a Virtue: Rethinking Generalization under Distribution Shifts
Ruixuan Chen, Wentao Li, Jiahui Xiao, Yuchen Li, Yimin Tang, Xiaonan Wang
- Submitted to ICLR 2026
- Readers: Everyone
AutoMat: Enabling Automated Crystal Structure Reconstruction from Microscopy via Agentic Tool Use
Yaotian Yang, Yiwen Tang, Yizhe Chen, Xiao Chen, Jiangjie Qiu, Hao Xiong, Zhiyao Luo, Haoyu Yin, Yifei Zhang, Sijia Tao, Wentao Li, Qinghua Zhang, Yuqiang Li, Wanli Ouyang, Bin Zhao, Xiaonan Wang, Fei Wei
- Submitted to ICLR 2026
- Readers: Everyone
MatWheel: Addressing Data Scarcity in Materials Science Through Synthetic Data
Wentao Li, 陈奕哲, Jiangjie Qiu, Xiaonan Wang
- AI4MAT-ICLR-2025 Poster
- Readers: Everyone
Accelerating High-Efficiency Organic Photovoltaic Discovery via Pretrained Graph Neural Networks and Generative Reinforcement Learning
Jiangjie Qiu, Hou Hei Lam, Xiuyuan Hu, Wentao Li, Siwei Fu, Fankun Zeng, Hao Zhang, Xiaonan Wang
- AI4MAT-ICLR-2025 Poster
- Readers: Everyone

Co-Authors

View all 32 co-authors

Wentao Li

Names

Emails

Personal Links

Career & Education History

Advisors, Relations & Conflicts

Expertise

Publications

SemiMat: A Semi-Supervised Toolkit for Data-Scarce Materials Property Prediction

Beyond Greedy Acquisition: A Distribution-Aware Active Learning Framework for Molecular Discovery

AdsorbFlow: energy-conditioned flow matching enables fast and realistic adsorbate placement

Bias as a Virtue: Rethinking Generalization under Distribution Shifts

AutoMat: Enabling Automated Crystal Structure Reconstruction from Microscopy via Agentic Tool Use

MatWheel: Addressing Data Scarcity in Materials Science Through Synthetic Data

Accelerating High-Efficiency Organic Photovoltaic Discovery via Pretrained Graph Neural Networks and Generative Reinforcement Learning

Co-Authors