教育经历：

2009.09-2014.07   清华大学 化学系 理论计算化学 博士

2005.09-2009.07   东北师范大学 物理学院 物理学  学士

2002.09-2005.07   浙江省天台实验中学

工作经历：

2021.03-至今  上海大学 材料基因组工程研究院 计算材料 副研究员

2016.07-2021.02 上海大学 材料基因组工程研究院 计算材料 助理研究员

2014.07-2016.07 复旦大学 化学系 理论计算化学 博士后

授课情况：

1. 计算材料学原理(强)（本科生，40学时，春季学期）

2. 材料设计综合实验(2)(强)（本科生，40学时，春季学期）

3. 计算材料学原理1（研究生，40学时，秋季学期）

承担项目情况：

1. 国家自然科学基金青年项目（主持，No.21703136），有机-无机杂化钙钛矿体系电声调控光电性能的理论研究，24万，2018.01-2020.12

2. 上海市青年科技英才扬帆计划项目（主持，No.17YF1427900），无机/有机杂化体系中输运机制及热电性能的理论计算探究，20万，2017.05-2020.04

3. 中国博士后科学基金面上一等资助项目（主持，No.2015M570326），阴离子与缺电子芳香π体系结合特性的理论研究，8万，2015.05-2016.07

4. 科技部国家重点研发计划青年科学家项目（项目骨干，No.2021YFB3502200），超晶格稀土储氢电极材料研究，300万，2021.12-2024.11

5. 科技部国家重点研发计划项目（课题一骨干，No.2018YFB0703601），热电材料设计方法与高通量筛选，119万，2018.07-2022.06

6. 科技部国家重点研发计划项目（课题二骨干，No.2017YFB0701602），微观输运性能预测算法与能量转换和储存材料筛选，309.28万，2017.07-2021.06

个人主页：

https://orcid.org/0000-0003-4198-2840

https://www.researchgate.net/profile/Jinyang-Xi

Ø 有机及二维电荷传输材料、有机-无机杂化光电材料、无机热电材料中的电子结构、晶格振动、电声耦合计算和电、热输运性质预测；

Ø 化学反应、自组装过程中新型非共价键相互作用的理论计算。

截至2024年03月：

一、共发表SCI论文52篇，引用3000多次，h因子19，其中一作、通讯共25篇，具体如下：

1. J. Cheng, L. Gan, J. Zhang*, J. Xi*, et al., Thermoelectric properties of heavily Co-doped β-FeSi₂, J. Mater. Sci. Technol., 2024, 187, 248;

2. W. Yao, B. Shi, S. Hu*, P. Zhang, J. Xi*, et al., Temperature-induced band gap renormalization in Mg₂Si and Mg₂Sn, Phys. Rev. B, 2023, 108, 155205;

3. W. Shi,* M. Yao, J. Xi*, et al., Atomistic insights into the origin of high-performance thermoelectric response in hybrid perovskites, Adv. Sci.,  2023, 10, 2300666;

4. M. Yao, J. Xi*, J. Yang*, W. Zhang*, et al., MatHub-2d: A database for transport in 2D materials and a demonstration of high-throughput computational screening for high-mobility 2D semiconducting materials, Sci. China Mater., 2023, 66, 2768;

5. J. Ji, J. Yang, J. Xi*, Y. Long*, W. Zhang*, et al., Delocalized Bi-tetrahedral cluster induced ultralow lattice thermal conductivity in Bi₃Ir₃O₁₁, Mater. Today Phys., 2023, 32, 101005;

6. S. Dai, J. Ning*, J. Xi*, J. Yang*, et al., Revealing the decisive factors of the lattice thermal conductivity reduction by electron-phonon interactions in half-Heusler semiconductors, Mater. Today Phys., 2023, 31, 100993;

7. J. Ning, J. Yang*, J. Xi*, et al., First-principles study of the temperature-induced band renormalization in thermoelectric filled skutterudites, Phys. Chem. Chem. Phys., 2023, 25, 26006;

8. Y. Li, J. Xi*, J. Yang, et al., Weak electron-phonon renormalization effect caused by the counteraction of the different phonon vibration modes in FeS₂, Phys. Scr., 2023, 98, 065902;

9. Z. Zhu, J. Xi*, J. Yang, Significant reduction in lattice thermal conductivity in a p-type filled skutterudite due to strong electron-phonon interactions, J. Mater. Chem. A, 2022, 10, 13484;

10. J. Xi, L. Xi, J. Yang*, Perspective of the electron-phonon interaction on the electrical transport in thermoelectric/electronic materials, Appl. Phys. Lett., 2022, 120, 190503;

11. J. Ning, J. Xi*, J. Yang*, et al., Temperature-dependence of the band gap in the all-inorganic perovskite CsPbI₃ from room to high temperatures, Phys. Chem. Chem. Phys., 2022, 24, 16003;

12. Y. Sheng, J. Xi^*, Y. Han^*, J. Yang^*, et al., Accelerating the discovery of Cu-Sn-S thermoelectric compounds via high-throughput synthesis, characterization, and machine learning-assisted image analysis, Chem. Mater., 2021, 33, 6918;

13. J. Xi, J. Yang^*, W. Zhang^*, et al., Temperature-dependent structural fluctuation and its effect on the electronic structure and charge transport in hybrid perovskite CH₃NH₃PbI₃, J. Comput. Chem., 2021, 42, 2213;

14. Z. Wang, J. Xi^*, J. Yang^*, et al., Temperature-dependent band renormalization in CoSb₃ skutterudites due to Sb-ring-related vibrations, Chem. Mater., 2021, 33, 1046;

15. J. Ding, J. Xi^*, J. Yang^*, et al., Thermoelectric transport properties in chalcogenides ZnX (X=S, Se): From the role of electron-phonon couplings, J. Materiomics, 2021, 7, 310;

16. C. Liu, J. Yang^*, J. Xi^*, X. Ke^*, et al., Strong electron-phonon interaction induced significant reduction in lattice thermal conductivities for single-layer MoS₂ and PtSSe, Mater. Today Phys., 2020, 5, 100277;

17. Y. Zhang, J. Xi^*, J. Yang^*, et al., Temperature-dependent band gaps in several semiconductors: from the role of electron-phonon renormalization, J. Phys.: Condens. Matter, 2020, 32, 475503;

18. C. Liu, J. Yang, J. Xi^*, X. Ke^*, The origin of intrinsic charge transport for Dirac carbon sheet materials: roles of acetylenic linkage and electron-phonon couplings, Nanoscale, 2019, 11, 10828;

19. J. Xi, D. Wang, Z. Shuai^*, et al., Theoretical Studies on the deformation potential, electron-phonon Coupling, and carrier transports of layered systems, Acta Phys. -Chim. Sin., 2018, 34, 961;

20. J. Xi, X. Xu^*, Understanding the anion-π interactions with tetraoxacalix[2]arene[2]triazine, Phys. Chem. Chem. Phys., 2016, 18, 6913;

21. J. Xi, D. Wang, Z. G. Shuai^*, Electronic properties and charge carrier mobilities of graphynes and graphdiynes from first principles, WIRES: Comput. Mol. Sci., 2015, 5, 215;

22. J. Xi, D. Wang, Z. Shuai^*, et al., Tunable electronic properties of two-dimensional transition metal dichalcogenide alloys: A first-principles prediction, J. Phys. Chem. Lett., 2014, 5, 285;

23. J. Xi, D. Wang, Z. Shuai^*, et al., Electron-phonon couplings and carrier mobility in graphynes sheet calculated using the Wannier-interpolation approach, J. Chem. Phys., 2014, 141, 034704;

24. Y. Chen, J. Xi (co-first), L. Xie^*, et al., Tunable band gap photoluminescence from atomically thin transition-metal dichalcogenide alloys, ACS Nano, 2013, 7, 4610;

25. J. Xi, D. Wang, Z. Shuai^*, et al., First-principles prediction of charge mobility in carbon and organic nanomaterials, Nanoscale, 2012, 4, 4348.

二、其他：

1. 授权发明专利：奚晋扬、郑亮亮、杨炯，一种基于电声重整化计算有限温度下CsPbI₃带隙的方法，2022，授权公告号CN113327648B;

2. 软件著作权：奚晋扬、戴胜男、杨炯，基于电声相互作用的热输运软件V1.0, 2023, 登记号2023SR0664882.