男，博士，教授。本科及博士毕业于南京工业大学，博士毕业后赴新加坡南洋理工大学以及美国威斯康辛大学-麦迪逊分校等从事博士后研究工作。于2016年3月入职南京工业大学化工学院（2019.4-2020.12借调国家自然科学基金委）。多年来，发展和应用多尺度分子模拟理论与计算方法，开展分子界面结构设计和形貌控制的理论模拟研究，在微观尺度上探究生物分子与无机材料的相互作用规律以及材料微结构传递机理，迄今在J. Am. Chem. Soc、Nano Letters、Biomaterials及Biomacromolecule 等主流学术期刊上发表SCI论文70余篇，引用1200余次。主持国家和省级自然科学基金6项，指导的研究生中多人获得南京工业大学研究生优秀学位论文及国家奖学金。

Email: xuzhijun@njtech.edu.cn

研究方向：

l 生物分子与无机材料相互作用

（复杂界面体系吸附自由能精确测量与计算）

l 骨骼和牙齿成核/生长机理及仿生设计制备

（有机-无机生物仿生复合材料高通量筛选及分子设计）

l 纳米孔道受限传质

近期代表性论文

1. Xiao Yang, Mingzhu Wang, Yang Yang, Beiliang Cui, Zhijun Xu*, Xiaoning Yang, Physical origin underlying the prenucleation-cluster-mediated nonclassical nucleation pathways for calcium phosphate. Physical Chemistry Chemical Physics, 2019, 21 (27), 14530-14540. (封面)

2. Xiang Wang, Mingzhu Wang, Qichao Wei, Xiao Yang, Beiliang Cui, Xiaoning Yang, Zhijun Xu*, Modulation of solid-water-peptide interfacial properties towards surface adsorption/bioresistance, Applied Surface Science, 2019, 483, 373-382.

3. Zhijun Xu*, Xiao Yang, Qichao Wei, Weilong Zhao, Beiliang Cui, Xiaoning Yang*, Nita Sahai*, Quantitatively Identifying the Roles of Interfacial Water and Solid Surface in Governing Peptide Adsorption, Langmuir, 2018, 34, 7932-7941.

4. Zhijun Xu*, Weilong Zhao, Ziqiu Wang, Yang Yang, Nita Sahai*, Structure analysis of collagen fibril at atomic-level resolution and its implications for intra-fibrillar transport in bone biomineralization, Physical Chemistry Chemical Physics, 2018, 20, 1513-1523.

5. Zhijun Xu*, Qichao Wei, Weilong Zhao, Qiang Cui, Nita Sahai*, Essence of Small Molecule-Mediated Control of Hydroxyapatite Growth: Free Energy Calculations of Amino Acid Side Chain Analogues, The Journal of Physical Chemistry C, 2018, 122, 4372-4380.

6. Qichao Wei, Weilong Zhao, Yang Yang, Beiliang Cui, Zhijun Xu*, Xiaoning Yang, Method Evaluations for Adsorption Free Energy Calculations at the Solid/Water Interface through Metadynamics, Umbrella Sampling, and Jarzynski's Equality, Chemphyschem, 2018, 19, 690-702. (封面)

7. Zhijun Xu*, Qichao Wei, Weilong Zhao, Qiang Cui, Nita Sahai*, Essence of Small Molecule-Mediated Control of Hydroxyapatite Growth: Free Energy Calculations of Amino Acid Side Chain Analogues. Journal of Physical Chemistry C, 2018, 122 (8), 4372-4380.

8. Tongfei Xu, Ming Zhang, Zhijun Xu*, Xiaoning Yang*, Molecular Insight into Water Transport through Heterogeneous GO-based Two-Dimensional Nanocapillary. ACS Applied Materials & Interfaces, 2019, 11 (36), 33409-33418.

9. Xiang Wang, Xiao Yang, Huijun Chen, Xiaoning Yang, Zhijun Xu*, Entropy-Enthalpy Compensation in Peptide Adsorption on Solid Surfaces: Dependence on Surface Hydration, Langmuir 2020, 36, 10822-10829.

10. Ziqiu Wang, Zhijun Xu*, Weilong Zhao, Wei Chen, T Miyoshi, Nita Sahai*, Isoexergonic Conformations of Surface-Bound Citrate Regulated Bioinspired Apatite Nanocrystal Growth. Acs Applied Materials & Interfaces, 2016, 8, 28116-28123.