Publications
2024
39. Leying Qing, Xiujun Wang, Shichao Li, Jian Zhang, Jian Jiang*. Thermodynamic Perturbation Theory for Charged Branched Polymers[J]. Journal of Chemical Theory and Computation, 2024. https://link.springer.com/article/10.1007/s10118-024-3221-6
39. Qiuhui Chang, Ruochao Wang, Leying Qing*, Jian Jiang*. Trends in sequence-defined polyelectrolyte systems: a perspective[J]. Chinese Journal of Polymer Science, 2024: 1-17. https://link.springer.com/article/10.1007/s10118-024-3221-6
38. Dingyu Hou, Pengfei Li, Li-Ming Wang, Jun-Rong Zhang, Zongbo Zhang*, Jian Jiang*. Room-temperature solution processed silicon nanocluster: Theory prediction and experiment achievement[J]. Chemical Engineering Science, 2024: 120610. https://www.sciencedirect.com/science/article/abs/pii/S0009250924009102
37. Zhixuan Zhong, Lifeng Xu, Jian Jiang*. A Neural-Network-Based Mapping and Optimization Framework for High-Precision Coarse-Grained Simulation[J]. arXiv preprint arXiv:2408.06609, 2024. https://arxiv.org/abs/2408.06609
36. Rongxing Lu#, Yue Han#, Junbao Hu, Di Xu, Zhixuan Zhong, Heng Zhou, Tong Zhao*, Jian Jiang*. Deep learning model for precise prediction and design of low-melting point phthalonitrile monomers[J]. Chemical Engineering Journal, 2024: 154815. https://www.sciencedirect.com/science/article/abs/pii/S138589472406306X
35.Haoyang Zhou, Zhixuan Zhong, Shiyi Wei, Ping Yu*, Jian Jiang*, Lanqun Mao*. Transmembrane Graphene as an Electron Tunnel to Regulate the Intracellular Redox State[J]. Nano Letters, 2024, 24, 33, 10396–10401. https://pubs.acs.org/doi/abs/10.1021/acs.nanolett.4c03255
34. Zhixuan Zhong#, Guanqun Du#, Linbo Ma, Yilin Wang*, Jian Jiang*. Self-Assembly of Lamellae-in-Lamellae by Double-Tail Cationic Surfactants[J]. Advanced Science, 2024, 2401210. https://doi.org/10.1002/advs.202401210
33. Lifeng Xu, Jian Jiang*. Synergistic integration of physical embedding and machine learning enabling precise and reliable force field[J]. Journal of Chemical Theory and Computation, 2024, 20(18): 7785-7795. https://pubs.acs.org/doi/full/10.1021/acs.jctc.4c00618
32. Linbo Ma, Jian Jiang*. Vehicular Motions Dominate the Ion Transport in Concentrated LiTFSI Aqueous Solutions? Journal of Physical Chemistry Letters, 2024. https://pubs.acs.org/doi/full/10.1021/acs.jpclett.4c00791
31. Junbao Hu, Liyang Zhou, Jian Jiang*. Efficient machine learning force field for large-scale molecular simulations of organic systems[J]. CCS Chemistry, 2024: 1-15. https://www.chinesechemsoc.org/doi/full/10.31635/ccschem.024.202404785
30. Qiuhui Chang, Jian Jiang*. Nanoscale Hierarchical Structures Formed by Sequence-Defined Polycations and Homopolyanions for High Salt-Tolerance Adhesives[J]. Macromolecules, 2024, 57(4), 1859–1867. https://pubs.acs.org/doi/10.1021/acs.macromol.3c02596
2023
29. Ruochao Wang, Valeriy V. Ginzburg, Jian Jiang*, and Zhen-Gang Wang*. Adsorption of a polyelectrolyte chain at dielectric surfaces: Effects of surface charge distribution and relative dielectric permittivity.[J] Macromolecules, 2023, 56(19): 7653. https://pubs.acs.org/doi/full/10.1021/acs.macromol.3c01096
28. Leying Qing, Jian Jiang*. Enabling High-Capacitance Supercapacitors by Polyelectrolyte Brushes[J]. ACS nano, 2023, 17(17): 17122-17130. https://pubs.acs.org/doi/full/10.1021/acsnano.3c04824
27. Zhixuan Zhong, Guanqun Du, Yilin Wang, Jian Jiang*. Phase Behaviors of Dialkyldimethylammonium Bromide Bilayers[J]. Langmuir, 2023, 39(31): 11081. https://pubs.acs.org/doi/10.1021/acs.langmuir.3c01410
26. Linbo Ma, Zhixuan Zhong, Junbao Hu, Leying Qing, Jian Jiang*. Long-lived weak ion pairs in ionic liquids: an insight from all-atom molecular dynamics simulations[J]. The Journal of Physical Chemistry B, 2023, 127(23): 5308. https://pubs.acs.org/doi/full/10.1021/acs.jpcb.3c01559
25. Qiuhui Chang, Jian Jiang*. Force regulation by sequence-defined polyelectrolytes[J]. Macromolecules, 2023, 56(11): 4100. https://pubs.acs.org/doi/full/10.1021/acs.macromol.3c00268
24. Jinfeng Yue, Linbo Ma, Zhixuan Zhong, Jian Jiang*. Effects of Chain Length and Anions on Ion Transport in PEO-lithium Salt Systems[J]. Molecular Simulation, 2023, 49(7): 720-728. https://www.tandfonline.com/doi/abs/10.1080/08927022.2023.2189976
23. 常秋慧, 卿乐英, 江剑*. 聚电解质溶液的表界面热力学性质研究进展[J]. 中国科学:化学, 2023. https://doi.org/10.1360/SSC-2022-0251
2022
22. Leying Qing, Jian Jiang*. Interfacial Microstructure of Neutral and Charged Polymer Brushes: A Density Functional Theory Study[J]. The Journal of Chemical Physics, 2022, 157(22): 224904. https://aip.scitation.org/doi/figure/10.1063/5.0122397
21. Leying Qing, Jian Jiang*. Double-Edged Sword of Ion-Size Asymmetry in Energy Storage of Supercapacitor[J]. Journal of Physical Chemistry Letters, 2022, 13(6): 1438-1445. https://pubs.acs.org/doi/10.1021/acs.jpclett.1c03900
20. Qiuhui Chang, Jian Jiang*. Sequence Effects on the Salt-enhancement Behavior of Polyelectrolytes Adsorption[J]. Macromolecules, 2022, 55(3): 897-905. https://pubs.acs.org/doi/10.1021/acs.macromol.1c02243
19. Jian Jiang*. Software Package: an Advanced Theoretical Tool for Inhomogeneous Fluids (Atif)[J]. Chinese Journal of Polymer Science, 2022, 40: 220–230. https://doi.org/10.1007/s10118-021-2646-4 (invited Research Article)
2021
18. Christopher Balzer#, Jian Jiang#, Ryan Marson, Valeriy Ginzburg, Zhen-Gang Wang*. Nonelectrostatic Adsorption of Polyelectrolytes and Mediated Interactions between Solid Surfaces[J]. Langmuir, 2021, 37(18): 5483–5493. https://pubs.acs.org/doi/10.1021/acs.langmuir.1c00139
17. Qiuhui Chang, Jian Jiang*. Adsorption of Block-polyelectrolytes on an Oppositely Charged Surface[J]. Macromolecules, 2021, 54(9): 4145–4153. https://pubs.acs.org/doi/10.1021/acs.macromol.1c00165
16. Jian Jiang*, Dirk Gillespie. Revisiting the Charged Shell Model: A Density Functional Theory for Electrolytes[J]. Journal of Chemical Theory and Computation, 2021, 17(4): 2409–2416. https://pubs.acs.org/doi/10.1021/acs.jctc.1c00052
15. Jian Jiang*. Non-monotonic Effects of Intrinsic Stiffness and Concentration of Polyelectrolytes on the Electro-sorption[J]. Macromolecules, 2021, 54(4): 1801–1810. https://pubs.acs.org/doi/abs/10.1021/acs.macromol.0c02472
2020
14. Jian Jiang*. Nonmonotonic Adsorption Behavior of Semiflexible Polymers[J]. The Journal of Chemical Physics, 2020, 153(3): 034902. https://aip.scitation.org/doi/full/10.1063/5.0014209
2019
13. Jian Jiang, Valeriy V. Ginzburg, and Zhen-Gang Wang*. On the Origin of Oscillatory Interactions between Surfaces Mediated by Polyelectrolyte Solution[J]. The Journal of Chemical Physics, 2019, 151(21): 214901. https://aip.scitation.org/doi/abs/10.1063/1.5123172
2018
12. Jian Jiang, Zhen-Gang Wang*. Improved Local Lattice Monte Carlo Simulation for Charged Systems[J]. The Journal of Chemical Physics, 2018, 148(11): 114105. https://aip.scitation.org/doi/full/10.1063/1.5023491
11. Jian Jiang, Valeriy V. Ginzburg, Zhen-Gang Wang*. Density Functional Theory for Charged Fluids[J]. Soft Matter, 2018, 14(28): 5878-5887. https://pubs.rsc.org/lv/content/articlelanding/2018/sm/c8sm00595h/unauth#!divAbstract
pre 2018
10. Silvestre-Alcantara Whasington*, Lutful Bari Bhuiyan, Jian Jiang, Jianzhong Wu, and Douglas Henderson. Contact Value Relations and Density Functional Theory for the Electrical Double Layer[J]. Molecular Physics, 2014, 112(24): 3144-3151. https://www.tandfonline.com/doi/abs/10.1080/00268976.2014.932924
9. Kong Xian, Jian Jiang, Diannan Lu*, Zheng Liu*, and Jianzhong Wu*. Molecular Theory for Electrokinetic Transport in pH-regulated Nanochannels[J]. The Journal of Physical Chemistry Letters, 2014, 5(17): 3015-3020. https://pubs.acs.org/doi/abs/10.1021/jz5013802
8. Jian Jiang, Dapeng Cao, De-en Jiang, and Jianzhong Wu*. Kinetic Charging Inversion in Ionic Liquid Electric Double Layers[J]. The Journal of Physical Chemistry Letters, 2014, 5(13): 2195-2200. https://pubs.acs.org/doi/abs/10.1021/jz5009533
7. Jian Jiang, Dapeng Cao, De-en Jiang, and Jianzhong Wu*. Time-dependent Density Functional Theory for Ion Diffusion in Electrochemical Systems[J]. Journal of Physics: Condensed Matter, 2014, 26(28): 284102. https://iopscience.iop.org/article/10.1088/0953-8984/26/28/284102/meta
6. Jian Jiang, Dapeng Cao*, Douglas Henderson, and Jianzhong Wu*. Revisiting Density Functionals for the Primitive Model of Electric Double Layers[J]. The Journal of Chemical Physics, 2014, 140(4): 044714. https://aip.scitation.org/doi/abs/10.1063/1.4862990
5. Jian Jiang, Dapeng Cao, Douglas Henderson, and Jianzhong Wu*. A Contact-corrected Density Functional Theory for Electrolytes at an Interface[J]. Physical Chemistry Chemical Physics, 2014, 16(9): 3934-3938. https://pubs.rsc.org/fi/content/articlelanding/2014/cp/c3cp55130j/unauth#!divAbstract
4. Jian Jiang, Dapeng Cao*. Modeling of Highly Efficient Drug Delivery System Induced by Self-assembly of Nanocarriers: A Density Functional Study[J]. Science China Chemistry, 2013, 56(2): 249-255. https://link.springer.com/content/pdf/10.1007/s11426-012-4752-1.pdf
3. Jian Jiang, Xiaofei Xu*, and Dapeng Cao*. Density Functional Theory for Inhomogeneous Ring Polymeric Fluids[J]. Physical Review E, 2012, 86(4): 041805. https://journals.aps.org/pre/abstract/10.1103/PhysRevE.86.041805
2. Jian Jiang, Dapeng Cao*. Generalized Flory-Huggins Theory-based Equation of State for Ring and Chain Fluids[J]. The Journal of Chemical Physics, 2012, 136(12): 124904. https://aip.scitation.org/doi/abs/10.1063/1.3697484
1. Jian Jiang, Xiaofei Xu, Jinyang Huang, and Dapeng Cao*. Density Functional Theory for Rod-coil Polymers with Different Size Segments[J]. The Journal of Chemical Physics, 2011, 135(5): 054903. https://aip.scitation.org/doi/abs/10.1063/1.3622488