INTRODUCTION

Education

PhD Candidate

Major: Materials Physics and Chemistry
Research Interest: Computational Materials Science; Altermagnetism; Spintronics; Condensed Matter Physics; Applied Artificial Intelligence; Materials Informatics; Applied Machine Learning
Advisor: Prof. Xiaojun Wu
ORCID: 0000-0002-3990-6868
Member of National High-Level Talent Cultivation Center for Chemistry (2024 - Ongoing)

Publications

2025

1. Bilayer Metal-Organic Framework Altermagnets with Electrically Tunable Spin-Split Valleys
   Yixuan Che, Haifeng Lv,* Xiaojun Wu,* and Jinlong Yang
   J. Am. Chem. Soc. 2025, Accepted (JCR-Q1, CAS-Q1, IF: 14.5)
2. Inverse Design of 2D Altermagnetic Metal-Organic Framework Monolayers from Hückel Theory of Nonbonding Molecular Orbitals
   Yixuan Che, Yilin Chen, Xin Liu, Haifeng Lv,* Xiaojun Wu,* and Jinlong Yang
   JACS Au 2025, 5, 381-387 (JCR-Q1, CAS-Q1, IF: 8.6, ACS Editors' Choice)

2024

3. Realizing Altermagnetism in Two-Dimensional Metal-Organic Framework Semiconductors with Electric-Field-Controlled Anisotropic Spin Current
   Yixuan Che, Haifeng Lv,* Xiaojun Wu,* and Jinlong Yang
   Chem. Sci. 2024, 15, 13853-13863 (JCR-Q1, CAS-Q1, IF: 7.6)
4. Metal-Sulfur Interfaces as the Primary Active Sites for Catalytic Hydrogenations
   Weiming Chen,⁺ Yixuan Che,⁺ Jing Xia, Lirong Zheng, Haifeng Lv, Jie Zhang, Haiwei Liang, Xiangmin Meng, Ding Ma, Weiguo Song, Xiaojun Wu,* and Changyan Cao*
   J. Am. Chem. Soc. 2024, 146, 11542-11552 (JCR-Q1, CAS-Q1, IF: 14.5)
5. Surface Decoration Manipulating Zn²⁺/H⁺ Carrier Ratios for Hyperstable Aqueous Zinc Ion Battery Cathode
   Wenhao Liang,⁺ Yixuan Che,⁺ Zhiyuan Cai, Rongfeng Tang, Zhentao Ma, Xusheng Zheng, Xiaojun Wu,* Jun Li,* Huile Jin,* Changfei Zhu, and Tao Chen*
   Adv. Funct. Mater. 2024, 34, 2304798 (JCR-Q1, CAS-Q1, IF: 18.5)
6. Solvent Annealing Enabling Reconstruction of Cadmium Sulfide Film for Improved Heterojunction Quality and Photovoltaic Performance of Antimony Selenosulfide Solar Cells
   Yuehao Gu,⁺ Wenhao Liang,⁺ Yixuan Che,⁺ Zhiyuan Cai, Peng Xiao, Junjie Yang, Runxuan Zang, Hong Wang,* Xiaojun Wu,* and Tao Chen*
   Adv. Funct. Mater. 2024, 34, 2311577 (JCR-Q1, CAS-Q1, IF: 18.5)

2023

7. Crystal System and Space Group Prediction of Two-Dimensional Materials from Chemical Formula via Deep Neural Networks
   Yixuan Che, Dayong Wang, Haifeng Lv, and Xiaojun Wu*
   Mater. Today Chem. 2023, 33, 101667 (JCR-Q1, CAS-Q2, IF: 6.7)

Bachelor of Science

Major: Materials Chemistry
GPA: 3.48/4.30
Weighted Score: 85.86/100
Arithmetic Score: 86.95/100
Thesis: Structure and Property Prediction of Two-Dimensional Materials Based on Machine Learning (Grade A)
National Training Program of Innovation: Theoretical Study of MOFs-based Two-Dimensional Topological Spintronics (Grant No. 202110358035, Completed, Grade A)
Main Courses: General Chemistry A (93/100); Quantum Chemistry (99/100); Solid State Physics (96/100); Basic Structures of Solid Materials (94/100); Materials Synthesis and Processing (92/100); Principles of Chemical Engineering (89/100); Characterization Techniques of Materials (86/100); Optics (94/100); Physical Chemistry (I-82/100, II-86/100, III-90/100); Linear Algebra B1 (85/100); Function of Complex Variable B (85/100); Equations of Mathematical Physics B (85/100); Computational Methods B (85/100); College Physics Experiment (I-98/100, II-91/100, III-95/100); Appl. of CASTEP/Materials Studio in Material Computation (A+); Matlab Programming and Application (A+); Freshman Seminar (A+), etc.

Awards

Scholarship

Experience