个人简介
计嘉琳,博士,讲师。2023年06月毕业于上海大学材料基因组工程研究院材料物理与化学专业(导师:南方科技大学张文清教授;合作导师:上海大学杨炯教授)。曾在中国科学院宁波材料所、南方科技大学访问学习。2023年07月加入嘉兴学院304am永利集团任教。迄今,共发表SCI二区以上论文9篇。其中,作为第一作者在化学领域国际顶级期刊J. Am. Chem. Soc.上发表了高通量材料设计新范式在高性能新型热电材料设计上应用的纯理论计算工作。
主讲课程
《无机化学及分析化学》。
研究方向
(1)基于第一性原理的电子结构、化学键以及电热输运的分析和计算;尤其擅长材料低晶格热导率的机理分析。
(2)利用材料基因组思想,基于材料数据库平台的高通量(High-Throughput)计算和机器学习(AI for Materials)设计新材料(新能源材料,如热电材料)。
另外,基于上述研究方向所使用的科研工具如下:
(1)第一性原理计算:VASP、Quantum ESPRESSO、Materials Studio等;
(2)性能分析:化学键(COHP-Lobster)、电输运(TransOpt、BoltzTraP)、热输运(phonopy、ShengBTE、Temperature dependent effective potential)、电声相互作用(EPW)等;
(3)通过API获取各类材料数据库数据;
(4)Python、Shell等编程语言,通过编程实现人工智能在材料中的应用,以及物理化学的想法。
**欢迎对上述研究方向感兴趣的同学/老师与我交流合作。**
代表论文(近五年)
(1) Jialin Ji, Qinghang Tang, Mingjia Yao, Hongliang Yang, Yeqing Jin, Yubo Zhang, Jinyang Xi, David J. Singh, Jiong Yang*, and Wenqing Zhang*, Functional-Unit-Based Material Design: Ultralow Thermal Conductivity in Thermoelectrics with Linear Triatomic Resonant Bonds, J. Am. Chem. Soc. 2022, 144, 18552−18561.(内封面文章, 自然指数期刊,SCI一区)
(2) Jialin Ji, Zhehong Liu, Jianhong Dai, Di Qiu, Jiong Yang, Jinyang Xi*, Youwen Long* and Wenqing Zhang*, Delocalized Bi-tetrahedral cluster induced ultralow lattice thermal conductivity in Bi3Ir3O11, Mater. Today Phys. 2023, 32, 101005.(SCI二区-物理应用一区)
(3) Mingjia Yao, Jialin Ji, Xin Li, Zhenyu Zhu, Jun-Yi Ge, David J. Singh, Jinyang Xi*, Jiong Yang*, and Wenqing Zhang*, MatHub-2d: A database for transport in 2D materials and demonstration for high-throughput computational screening for high mobility 2D semiconducting materials, Sci. China Mater. 2023, 66, 2768–2776.(SCI二区)
(4) Zhehong Liu#, Jianhong Dai#, Jialin Ji, Xuejuan Dong, Jihai Yu, Xubin Ye, Weipeng Wang, Richeng Yu, Zhiwei Hu, Huaizhou Zhao*, Xiangang Wan, Wenqing Zhang*, and Youwen Long*, Discovery of a metallic oxide with ultralow thermal conductivity, 2022, arXiv:2212.0204.(预印版)
(5) Weishu Liu*, Zhijia Han, Jialin Ji, Tao Feng, Jiong Yang, and Wenqing Zhang*, Uplimit (ZT)max and Effective Merit Parameter B* of Thermoelectric Semiconductors, Mater. Today Phys.2023, 31, 100989.(SCI二区-物理应用一区)
(6) Zhou Zhang, Yifan Zhu, Jialin Ji, Jianxin Zhang, Huifang Luo, Chenguang Fu, Qianqian Li, Madison Brod, G. Jeffrey Snyder, Yubo Zhang, Jiong Yang*, and Wenqing Zhang, Ag rearrangement induced metal-insulator phase transition in thermoelectric MgAgSb, Mater. Today Phys. 2022, 25, 100702.(SCI二区-物理应用一区)
(7) Yongcheng Liang*#, Azkar Saeed Ahmad#, Jianzhou Zhao#, Guozhu Song, Xuefeng Zhou, Jialin Ji, Wei Zhang, Zhilin Han, Jixuan Liu, Kenny Stahl, Anna Pakhomova, Konstantin Glazyrin, Guo-Jun Zhang, Wenqing Zhang, Yusheng Zhao, Rui Yu*, Shanmin Wang*, and Peihong Zhang, Isosymmetric phase transitions, ultrahigh ductility, and topological nodal lines in α-Ag2S, Phys. Rev. B: Rapid Communication 2020, 102, 140101(R).(自然指数期刊,SCI二区)
(8) Di Wang#, Feng Tang#, Jialin Ji, Wenqing Zhang, Ashvin Vishwanath, Hoi Chun Po, and Xiangang Wan*, Two-dimensional topological materials discovery by symmetry-indicator method, Phys. Rev. B 2019, 100, 195108.(自然指数期刊,SCI二区)
联系方式
Email:jialinji@zjxu.edu.cn
办公室:融信楼521