副教授（副研究员）

联系方式

邮箱：wangx@scu.edu.cn 
地址：四川省成都市武侯区四川大学望江校区西五教

个人简历 

王仙，四川大学原子与分子物理研究所副研究员、硕士生导师。2016 年获西华师范大学理学（物理学）和管理学（行政管理学）双学士学位；2019 年获四川大学理学硕士学位（原子与分子物理）；2021 年赴比利时Université de Namur开展联合培养博士研究，2022 年获四川大学理学博士学位（凝聚态物理）。2022年起先后在新加坡国立大学、南洋理工大学做博士后研究。2025 年入职四川大学原子与分子物理研究所。迄今已发表 SCI 论文40余篇，其中以第一作者/通讯作者在 ACS Nano, npj Computational Materials, Physical Review B, Physical Review Applied, Journal of Chemical Physics, ACS Applied Materials & Interfaces, Nano Research等主流学术期刊发表30余篇。主持国家科技重大专项子课题、国家自然科学基金青年科学基金（C类）等科研项目。

研究方向

材料计算智能体的开发与应用

面向前沿新材料设计的高通量自主计算方法

机器学习驱动的材料设计理论与方法

多物理场耦合的材料响应机理与性能调控

代表性论文

[1] Xian Wang, Qun Zeng^*, Jun Zhou, Xuesen Wang, Mingli Yang, Lei Shen^* and Yuan Ping Feng, Predicting sliding ferroelectricity in heterobilayers via physical descriptors without explicit bilayer modeling, Physical Review B 113(2026)155410.

[2] Xian Wang, Qun Zeng^*, Dong-Hui Xu, Li Zhang, Gang Jiang and Mingli Yang^*, Accelerating materials discovery via AI-Agent integration of large language models and simulation tools, Journal of Materials Informatics, 6(2026)9.

[3] Rong-Hui Tang, Dong-Hui Xu, Xiaoqing Liu, Shuangli Yue, Yitong Wang, Li Zhang, Yunpeng Lu, Xian Wang^* and Mingli Yang, Physically guided discovery of high-performance photocatalytic and photovoltaic heterostructures, Nanoscale, 18(2026)11810.

[4] Dong-Hui Xu, Shuangli Yue, Li Zhang, Gang Jiang, Yunpeng Lu, Mingli Yang and Xian Wang^*, Intercalation-mediated activation and enhancement of ferroelectricity in transition metal dichalcogenide heterobilayers, Nanoscale, 18(2026)3262.

[5] Shuangli Yue, Dong-Hui Xu, Li Zhang, Gang Jiang, Mingli Yang and Xian Wang^*, Enabling and enhancing sliding ferroelectricity in homobilayers via atomic intercalation, Physical Review B, 24(2025)245413.

[6] Xian Wang, Jun Zhou, Xuesen Wang, Lei Shen^* and Yuan Ping Feng^*, Heterobilayer Ferroelectricity with Competitive Polarization, ACS Nano 19(2025)32810.

[7] Xian Wang^#, Yifan Li^#, Ying Zhang, Peng Wang, Yi-Ming Zhao, Jun Zhou, Jie Yang, Xuesen Wang and Lei Shen^*, Machine learning-assisted identification of homobilayer sliding ferroelectrics with large out-of-plane polarization and low sliding energy barriers, Physical Review B, 111(2025)094106.

[8] Xian Wang, Peng Wang, Xiaoqing Liu, Xuesen Wang, Yunpeng Lu^* and Lei Shen^*, Data-Driven Discovery of High-Performance Heterobilayer Transition Metal Dichalcogenide-Based Sliding Ferroelectrics, ACS Applied Materials & Interfaces, 17(2025)7164.

[9] Xian Wang^*, Wenfeng Guang and Yunpeng Lu^*, Tunable layer-specific polarizability in twisted multilayer graphene flakes capped with hexagonal boron nitride, The Journal of Chemical Physics, 162(2025)234706.

[10] Xian Wang^#, Shashidhara Acharya^#, Peng Wang, Yi-Ming Zhao, Kui Yao and Lei Shen^*, Oxygen impurity effects on the piezoelectric response of wurtzite Al_0.625Sc_0.375N, Journal of Applied Physics, 138(2025)035105.

[11] Ziduo Yang^#, Xian Wang^#, Yifan Li, Qiujie Lv, Calvin Yu-Chian Chen^* and Lei Shen^*, Lightweight equivariant model for efficient interatomic potential predictions, npj Computational Materials, 11(2025)49.

[12] Shashidhara Acharya^#, Xian Wang^#, Qinwen Xu, Mingsheng Zhang, Jianwei Chai, Ping Luo, Poh Chong Lim, Ping Yang, Lei Shen, Chengliang Sun and Kui Yao^*, Role of oxygen on structure and piezoelectric properties of Al_0.65Sc_0.35N thin films, Physical Review Applied, 22(2024)044071.

[13] Xian Wang, Li Zhang and Mingli Yang^*, Interlayer electron flow and field shielding in twisted trilayer graphene quantum dots, Nanoscale, 14(2022)1310.

[14] Xian Wang, Li Zhang, Shengping Yu, Mingli Yang^* and Koblar Alan Jackson^*, Interlayer polarizability in twisted bilayer graphene quantum dots, Physical Review B, 104(2021)155411.

[15] Xian Wang, Yingqi Cui, Li Zhang and Mingli Yang^*, Enhanced second-order Stark effect in twisted bilayer graphene quantum dots, Nano Research, 14(2021)3935

[16] Ziduo Yang^#, Yi-Ming Zhao^#, Xian Wang, Xiaoqing Liu, Xiuying Zhang, Yifan Li, Qiujie Lv, Calvin Yu-Chian Chen^* and Lei Shen^*, Scalable crystal structure relaxation using an iteration-free deep generative model with uncertainty quantification, Nature communications, 15 (2024)8148.