Hi there, this is Mengfan Wu
I'm a fourth-year PhD student in Intelligence Science and Technology from Shanghai Research Institute for Intelligent Autonomous Systems & School of Physics Science and Engineering at Tongji University, working under the supervision of Prof. Jie Ren.
My research lies at the intersection of artificial intelligence, computational materials, and condensed matter physics. Leveraging interpretable machine learning, graph neural network, and machine learning potential, I develop data-driven frameworks to accelerate the discovery of advanced functional materials. Currently, I'm exploring the frontiers of Agentic AI to build next-generation autonomous materials discovery systems, spanning multiple application domains:
- Phonon Thermal Materials
- Nonlinear Optical Materials
- Porous Materials
M. Wu#, J. Tan#, Y. Zhu, J. Ren*
KappaFormer: Physics-Aware Transformer for Lattice Thermal Conductivity via Cross-Domain Transfer Learning
arXiv:2604.03547 (2026)
M. Wu, S. Yan, J. Ren*
Hierarchy-Boosted Funnel Learning for Identifying Semiconductors with Ultralow Lattice Thermal Conductivity
npj Computational Materials 11, 106 (2025) JCR Q1 Top IF=11.9
M. Wu, S. Zhang*, J. Ren*
AI-Empowered Digital Design of Zeolites: Progress, Challenges, and Perspectives
APL Materials 13, 020601 (2025) Editor's Pick JCR Q2 IF=4.5
M. Wu, C. Xie*, S. Pan*, Z. Yang* et al.
Target-Driven Design of Deep-UV Nonlinear Optical Materials via Interpretable Machine Learning
Advanced Materials 35, 2300848 (2023) JCR Q1 Top IF=26.8
M. Wu, C. Xie*, S. Pan*, Z. Yang* et al.
From Phosphate Fluoride to Fluorophosphate: Design of Novel Ultraviolet/Deep-Ultraviolet Nonlinear Optical Materials for BePO3F with Optical Property Enhancement
ACS Applied Materials & Interfaces 14, 39081 (2022) JCR Q1 IF=8.2
J. Hu, M. Wu*, J. Ren*
Machine Learning for the Generative Discovery of K+-Selective Porous Structures with Aluminum Sites
Physical Review Materials 9, 076002 (2025) JCR Q2 IF=3.4
Y. Yun#, M. Wu#, Z. Yang, G. Li*, S. Pan*
Synergistic Machine Learning Guided Discovery of ABa3(BSe3)2X (A = Rb, Cs; X = Cl, Br, I): A Promising Family as Property-Balanced IR Functional Materials
Advanced Science 12, 2417851 (2025) JCR Q1 Top IF=14.1
C. Hu#, M. Wu#, M. Zhang#, J. Han*, S. Pan* et al.
"Cation Activation": An Effective Strategy for the Enhancement of Birefringence
Advanced Optical Materials 11, 2300579 (2025) JCR Q1 IF=7.2
Y. Yun#, M. Wu#, C. Xie, Z. Yang, G. Li*, S. Pan*
Theoretical Prediction-Assisted Synthesis and Characterization of Infrared Nonlinear Optical Material NaSrBS3
Advanced Optical Materials 11, 2300256 (2023) JCR Q1 IF=7.2
