薄涛 副研究员，硕士生导师

办公地址：中国科学院大学宁波材料工程学院遍观楼1218-19

邮箱：botao@nimte.ac.cn

研究方向：

1. 核燃料水氧腐蚀和氢脆腐蚀机理的机器学习势分子动力学模拟

2. 钍基熔盐堆燃料盐体系的第一性原理计算、机器学习势的训练和分子动力学模拟

3. 固体核燃料热物理及输运性质的机器学习势分子动力学模拟

教育科研经历：

2007年9月-2011年6月：郑州大学，热能与动力工程专业，学士学位。

2011年9月-2017年6月：西安交通大学&中国科学院高能物理研究所，核科学与技术专业，博士学位。

2017年7月-2019年6月：中国科学院高能物理研究所，博士后。

2019年7月-2021年11月：中国科学院物理研究所，博士后。

2021年11月-至今：中国科学院宁波材料技术与工程研究所，副研究员，硕士生导师。

科研项目：

(1) 国家自然科学基金面上项目，“熔盐堆燃料盐体系机器学习力场开发及传质传热调控研究”，2026.1.1-2029.12.31，主持

(2) 国家自然科学基金联合基金重点项目，“熔盐环境对核燃料中关键金属离子的化学行为影响”，参与

(3) 国家自然科学基金联合基金重点项目，“锕系团簇金属有机框架材料的合成及其去除放射性UO₂²⁺和TcO₄^-研究”，参与

(4) 国家自然科学基金青年基金项目，“铀、钚碳化物及铀钚混合碳化物的结构、物性和中子辐照损伤的理论研究”，2022.1.1-2024.12.31，主持

代表性论文：

(1) Hui-Ping Pan, Guang-Ying Li, Lei Zhang, Xiao-Li Tan*, Tao Bo*, Machine Learning-Accelerated Molecular Dynamics Simulations of PuF₃ in LiF-NaF-KF: Unraveling Coordination Chemistry and Ionic Transport Mechanisms, J. Phys. Chem. B, 2026, 130, 26, 6670-6682.

(2) Guang-Ying Li, Junying Zhong, Li Zhang, Kewei Jiang, Lei Zhang, Yuhui Liu, Yinghu Wang, Xiao-Li Tan*, Tao Bo*, Microstructure and thermophysical properties of LiF-NaF-KF-ThF₄ molten salts: a deep potential molecular dynamics study on composition-temperature dependence, Chem. Eng. Sci., 2026, 327, 123659.

(3) Junying Zhong, Lei Zhang, Tao Bo*, Active learning-enhanced neuroevolution potential for predictive modeling of UO₂ thermophysical properties, Phys. Chem. Chem. Phys., 2026, 28, 671-682.

(4) Yu-Han Lv, Guang-Ying Li, Lei Zhang, Xiao-Li Tan*, Tao Bo*, Machine Learning-Based Force Field Development and Microstructure-Property Investigation of NaF-BeF₂ Molten Salt Fuel, J. Nucl. Mater., 2026, 618, 156201.

(5) Guang-Ying Li, Yu-Han Lv, Li Zhang, Kewei Jiang, Lei Zhang, Yuhui Liu, Xiao-Li Tan*, Tao Bo*, Machine Learning-Driven Exploration of Composition-and Temperature-Dependent Transport and Thermodynamic Properties in LiF-NaF-KF Molten Salts for Nuclear Applications, J. Phys. Chem. B, 2025, 129, 37, 9418-9429.

(6) Tao Bo, Yanan Wang, Yingzong Liang, Xinbao Liu, Jun Ren, Hongming Weng, Miao Liu*, Sheng Meng*, High-Throughput Screening of Element-Doped Carbon Nanotubes Toward an Optimal One-Dimensional Superconductor. J. Phys. Chem. Lett., 2021, 12, 6667-6675.

(7) Tao Bo, Peng-Fei Liu, Luo Yan, and Bao-Tian Wang*, Electron-phonon coupling superconductivity in two-dimensional orthorhombic MB₆ (M = Mg, Ca, Ti, Y) and hexagonal MB₆ (M = Mg, Ca, Sc, Ti). Phys. Rev. Mater., 2020, 4, 114802.

(8) Tao Bo, Peng-Fei Liu, Juping Xu, Junrong Zhang, Yuanbo Chen, Olle Eriksson, Fangwei Wang, Bao-Tian Wang*, Hexagonal Ti₂B₂ monolayer: A promising anode material offering high rate capability for Li-ion and Na-ion batteries, Phys. Chem. Chem. Phys., 2018, 20, 22168-22178.

(9) Tao Bo, Peng-Fei Liu, Junrong Zhang, Fangwei Wang, Bao-Tian Wang*. Tetragonal and Trigonal Mo₂B₂ Monolayers: Two New Low-Dimensional Materials for Li-Ion and Na-Ion Batteries, Phys. Chem. Chem. Phys., 2019, 21, 5178-5188.

(10) Tao Bo, Jianhui Lan, Yaolin Zhao*, Chaohui He, Zhifang Chai, Weiqun Shi*, First-Principles Study of Water Reacting with the (110) Surface of Uranium Mononitride, J. Nucl. Mater., 2017, 492: 244-252.

(11) Tao Bo, Jianhui Lan, Yujuan Zhang, Yaolin Zhao, Chaohui He, Zhifang Chai, Weiqun Shi*, Adsorption and Dissociation of H₂O on the (001) Surface of Uranium Mononitride: Energetics and Mechanism from First-Principles Investigation, Phys. Chem. Chem. Phys., 2016, 18(19), 13255-13266.

(12) Tao Bo, Jianhui Lan, Congzhi Wang, Yaolin Zhao, Chaohui He, Yujuan Zhang, Zhifang Chai, Weiqun Shi*, First-Principles Study of Water Reaction and H₂ Formation on UO₂ (111) and (110) Single Crystal Surfaces, J. Phys. Chem. C, 2014, 118(38), 21935-21944.

(13) Tao Bo, Jianhui Lan, Yaolin Zhao*, Yujuan Zhang, Chaohui He, Zhifang Chai, Weiqun Shi*, First-Principles Study of Water Adsorption and Dissociation on the UO₂ (111), (110) and (100) Surfaces, J. Nucl. Mater., 2014, 454(1-3): 446-454.