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性别：男
民族：汉
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职务：
职称：教授
办公电话：18545162686
电子邮箱：dushiyu@nimte.ac.cn
都时禹
- 个人简介都时禹，教授，博士生导师。分别于中国科学技术大学化学系和美国普渡大学化学系，获得学士和博士学位。2009年7月-2013年12月在美国洛斯阿拉莫斯国家实验室分别担任博士后研究员和客座科学家。都时禹在美国洛斯阿拉莫斯国家实验室期间，主要承担核燃料和核材料关键物理性质的理论计算工作，在Nature Communications, Adv. Func. Mater., Proc. Nat. Acad. Sci., J. Am. Chem. Soc., Angew. Chem. Int. Ed., ACS Nano, ACS Appl. Mater. Interface, Nanoscale, J. Phys. Chem. Lett.,等国际期刊上发表高水平论文200余篇。都时禹于2014年1月全职回国，在中国科学院宁波材料技术与工程研究所开展工作，后调入银河电子游戏1331，国家重点研发计划项目首席科学家。目前的研究方向为：利用理论研究手段，设计开发下一代能源系统的关键材料；发展材料基因工程技术和相应软件系统，加速新颖能源材料的设计效率和应用。主持完成了国家重点研发计划，2014年度中国科学院创新交叉团队项目，浙江省重点研发计划，国家基金委面上等项目，并参与了国家自然科学基金委核能重大研究计划集成项目、中国科学院战略性先导科技专项A类支持的若干研究项目。
- 研究领域面向能源工业的下一代材料基因组技术和软件平台开发和应用
针对复杂数据集的新型机器学习算法和自然语言处理方法的开发和应用，发展相应众核软件系统和智能物联网应用平台；
发展融合材料科学和化学等交叉学科的人工智能技术，构建新一代多尺度、高通量材料基因组理论、方法和软件平台，进行材料工程的设计仿真和可视化表达，加速先进能源材料和分子的设计效率和应用；
交叉学科的多模数据库系统和知识图谱开发，借助人工智能技术发展多模态交互式系统，及相应移动服务平台集成。 - 学术兼职任国际期刊《无极材料学报》编委会委员（Editorial Board Member），任国际期刊《Frontiers in Materials》客座编辑，为Energy & Environmetal Science, ACS NANO, J. Am. Chem. Soc., Adv. Funct. Mater., Nano Energy等期刊担任审稿人
- 教学、科研项目1. 国家重点研发计划，2016YFB0700100，先进核燃料包壳的材料基因设计软件开发和应用示范，2016/07-2021/06，2200万元，结题，主持
2. 国家自然基金委-原创探索计划项目，52250005, 二维材料大规模、低成本、高品质制备的普适理论与方法，2023/01-2023/12，60万元，在研，主持
3. 国家自然科学基金面上项目，21875271，MXene纳米压电器件的材料设计与性能研究，2019/01-2012/12，64万元，结题，主持
4. 浙江省重点研发计划，2019C01060，大规模并行计算系统关键技术研究-大规模众核软件系统开发和高通量材料计算应用示范，2019/01-2021/12，250万元，结题，主持
5. 中国核动力研究设计院应用项目，基于PFT的锆合金辐照损伤软件开发，2018/01-2020/12，59 万元，结题，主持
6. 中国科学院创新交叉团队，关键核能技术交叉团队，2014.01-2016.12, 100万元，结题，主持 - 论文论著[1] AisNet: A Universal Interatomic Potential Neural Network with Encoded Local Environment Features, Zheyu Hu, Yaolin Guo*, Zhen Liu*, Diwei Shi, Yifan Li, Yu Hu, Moran Bu, Kan Luo, Jian He, Chong Wang, and Shiyu Du*, J. Chem. Inf. Model.doi.org/10.1021/acs.jcim.3c00077(2023).
[2] First-principles study of electronic and optical properties of NH3-adsorbed Sc2CO2 monolayer and its application in gas sensors, Zhuquan Wang, Nianxiang Qiu*, Erxiao Wu, Qing Huang, Peng An, Heming He, Shiyu Du*, Journal of Materials Research and Technology, 24, 173-184 (2023).
[3] Charge Density Evolution Governing Interfacial Friction, Junhui Sun, Xin Zhang, Shiyu Du*, Jibin Pu, Yang Wang, Yanping Yuan, Linmao Qian*, Joseph S Francisco*, J. Am. Chem. Soc. 145, 9, 5536–5544 (2023).
[4] An adaptive parallel EI infilling strategy extended by non-parametric PMC sampling scheme for Efficient Global Optimization, Yu Hu, Yaolin Guo*, Zhen Liu, Yifan Li, Zheyu Hu, Diwei Shi, Moran Bu, Shiyu Du*, IEEE Access, 11, 17793-17810 (2023).
[5] Resveratrol analog, triacetylresveratrol, a potential immunomodulator of lung adenocarcinoma immunotherapy combination therapies, Jian He, Nianxiang Qiu, Xianchao Zhou, Mei Meng, Zixue Liu, Jingquan Li, Shiyu Du*, Zhiqiang Sun*, and Hui Wang*, Frontiers in Oncology, doi.org/10.3389/fonc.2022.1007653 (2023).
[6] Enhancement of Question Answering System Accuracy via Transfer Learning and BERT, Kai Duan, Shiyu Du*, Yiming Zhang, Yanru Lin, Hongzhuo Wu and Quan Zhang, Applied Sciences, 12, 11522 (2022).
[7] A Recommendation Strategy Integrating Higher-Order Feature Interactions with Knowledge Graphs, Yanru Lin, Shiyu Du*, Yiming Zhang, Kai Duan, Qing Huang, Peng An, IEEE Access 10, 119290 (2022).
[8] Two-Dimensional Half-Metallic and Semiconducting Lanthanide-Based MXenes, Xiaojing Bai, Yuanbin Xue, Kan Luo, Ke Chen, Qing Huang, Xian-Hu Zha*, Shiyu Du*, ACS Omega (45), 40929-40940 (2022).
[9] Evolutionary Search for Novel Thorium Borides toward Advanced Nuclear Fuels, Diwei Shi, Jiexi Song, Yanqing Qin, Xinyu Chen, Yaolin Guo, Shiyu Du*, Xiwu Gong*, The Journal of Physical Chemistry C 126 (41), 17759-17768 (2022).
[10]Improved Slime Mold Algorithm with Dynamic Quantum Rotation Gate and Opposition-Based Learning for Global Optimization and Engineering Design Problems, Yunyang Zhang, Shiyu Du*, Quan Zhang, Algorithms, 15 (9), 317 (2022).
[11]Universal Principle for Large-Scale Production of a High-Quality Two-Dimensional Monolayer via Positive Charge-Driven Exfoliation, Junhui Sun, Ziwen Cheng*, Qing Huang, Heming He, Joseph S Francisco, Shiyu Du*, The Journal of Physical Chemistry Letters, 13 (28), 6597-6603 (2022).
[12]The thermal and elastic properties of U3Si5 and their variations induced by incorporated aluminum Xian-Hu Zha, Chen Fu∗, Xiaojing Bai, Jiajian Lang, Jing-Ting Luo, Yaqing Zhang, Kan Luo, Yanqing Qin, Qing Huang, Rui-Qin Zhang, Honglang Li, Yahui Tian , Shiyu Du∗，Journal of Nuclear Materials, 558, 153331 (2022).
[13]A Novel Chimp Optimization Algorithm with Refraction Learning and Its Engineering Applications, Q Zhang, S Du*, Y Zhang, H Wu, K Duan, Y Lin, Algorithms, 15(6), 189, (2022).
[14]Pressure Tuned Structural, Electronic and Elastic Properties of U3Si2C2: A First Principles Study, Moran Bu, Yaolin Guo*, Diwei Shi, Zhen Liu, Jiexi Song, Yifan Li, Erxiao Wu, Xinyu Chen, Yanqing Qin, Yang Yang,* and Shiyu Du*, Crystals 11(11), 1420 (2021).
[15]Development of a Phase Field Tool Coupling With Thermodynamic Data for Microstructure Evolution Simulation of Alloys in Nuclear Reactors, Yaolin Guo, Yifan Li, Zhen Liu, Diwei Shi, Jiexi Song, Biao Zhang, Moran Bu and Shiyu Du*, Frontiers in Materials 8:627864 (2021).
[16]Helium-induced damage in U3Si5 by first-principles studies, Yibo Wang, Zhenbo Peng, Nianxiang Qiu,* Heming He, Rongjian Pan, Lu Wu, Qing Huang and Shiyu Du*, RSC Advances 11(43):26920-26927 (2021).
[17]First-principles studies on behaviors of He impurities in d-MAX phase Zr3Al3C5 Hui Tian, Kan Luo, Nianxiang Qiu, Quanjun Li,* Jian Zhang,* Qing Huang, Shiyu Du,∗ Bingbing Liu, Journal of Nuclear Materials, 544, 152653 (2021).
[18]Investigations of the stability and electronic structures of U3Si2-Al: A First-principles study, Xinyu Chen, Yanqing Qin, Diwei Shi, Yaolin Guo, Jiexi Song, Moran Bu, Yiming Zhang*, Qing Huang, Guoquan Liu*, Zhifang Chai, Shiyu Du*, Chemical Physics 543 (1):111088 (2021).
[19]First-principles investigations on the electronic structures, polycrystalline elastic properties, ideal strengths and elastic anisotropy of U3Si2, Kun Wang, Yingjie Qiao, Xiaohong Zhang*, Xiaodong Wang, Yiming Zhang, Peng Wang, Shiyu Du*, The European Physical Journal Plus, 136, 409 (2021).
[20]Atomic modeling of the segregation of vacancies on <111> dislocations in α-iron by Diffusive Molecular Dynamics Simulations, Biao Zhang, Yaolin Guo*, Zhen Liu, Meie Li, Diwei Shi, Yifan Li, Jiexi Song, Moran Bu, Shiyu Du* Journal of Alloys and Compounds, 857, 157486 (2021).
[21]The mechanical and thermal properties of (Th,U)Si compounds: A systematic density functional theory research, Diwei Shi, Yaolin Guo*, Yanqing Qin, Jiexi Song, Zhen Liu, Xinyu Chen, Kan Luo, Moran Bu, Yifan Li, Shiyu Du*, Computational Materials Science 188(2):110148, (2021).
[22]Exploring U3Si2-based alloys through phase diagram investigations, Yuan Yuan, Yanqing Qin, Kai Xu, Yiming Zhang, Qing Huang, Keke Chang*, Shiyu Du*, Journal of Nuclear Materials 547(1):152770 (2021).
