主要运用理论模拟手段研究：
1. 活性物质的热力学，包括活性耗尽力、活性噪声、有效温度、压强等热力学性质。
2. 活性物质的拓扑边缘态，包括活性物质集体运动的内在机理以及边缘流的输运特性等。
3. 复杂环境中，胶体颗粒的相互作用及动力学行为。
4. 运用多层次的量子力学和分子力学方法，研究液相下双分子亲核取代反应X−+ CH3Y的双翻转、背面进攻等多种反应机制。
5. 液相下的碱基损伤，比如鸟嘌呤等较大分子的环打开、质子转移等。
近期发表文章
1. Liu P1, Ning L, Zong Y, Ye F, Yang M, Chen K. Lattice induced short-range attraction between same-charged colloidal particles. Physical Review Letters, 2022, 129, 018002.
2. Liu P1, Zhu H, Zeng Y, Du G, Ning L, Wang D, Chen K, Lu Y, Zheng N, Ye F, Yang M. Oscillating collective motion of active rotors in confinement. Proceedings of the National Academy of Sciences of the United States of America, 2020, 117, 11901-11907.
3. Liu P1, Ye S, Ye F, Chen K, Yang M. Constraint dependence of active depletion forces on passive particles. Physical Review Letters, 2020, 124, 158001.
4. Ning L, Liu P1, Ye F, Yang M, Chen K. Diffusion of colloidal particles in model porous media. Physical Review E, 2021, 103, 022608.
5. Ye S, Liu P1, Ye F, Chen K, Yang M. Active noise experienced by a passive particle trapped in an active bath. Soft Matter, 2020, 16, 4655-4660.
6. Liu P1, Zhang J, Wang D. Multi-level quantum mechanics theories and molecular mechanics study of the double-inversion mechanism of the F− + CH3I reaction in aqueous solution. Physical Chemistry Chemical Physics, 2017, 19, 14358-14365.
7. Liu P1, Wang D, Xu Y. A new, double-inversion mechanism of the F− + CH3Cl SN2 reaction in aqueous solution. Physical Chemistry Chemical Physics, 2016, 18, 31895-31903.
8. Liu P1, Li C, Wang S, Wang D. Catalytic effect of aqueous solution in water-assisted proton transfer mechanism of 8-hydroxy guanine radical. The Journal of Physical Chemistry B, 2018, 122, 3124-3132.
9. Liu P1, Li C, Wang D. Multilevel quantum mechanics theories and molecular mechanics calculations of the Cl− + CH3I reaction in water. The Journal of Physical Chemistry A, 2017, 121, 8012-8016.
10. Liu P1, Wang Q, Niu M, Wang D. Multi-level quantum mechanics and molecular mechanics study of ring opening process of guanine damage by hydroxyl radical in aqueous solution. Scientific Reports, 2017, 7, 7798.
11. Ye S, Liu P1, Wei Z, Ye F, Yang M, Chen K. Constraint dependence of average potential energy of a passive particle in an active bath. Chinese Physics B, 2020, 29, 058201.
12. Liu P1, Li C, Wang D. The effects of proportion and location of pyrimidinyl for modulation of rectification on the structure of quaterphenyl. Chemical Physics Letters, 2016, 666, 38-44.