Refereed Journal Papers
Quanpeng Yang, Callioglu, S., and Arya, G. (2024). Development of a van der Waals Potential via Active Learning (Under review)
Quanpeng Yang, Callioglu, S. and Arya, G. (2024). A Machine Learning van der Waals Potential and Monte Carlo Simulation Python Package (Under review)
Quanpeng Yang, Callioglu, S., Laforet, J. Shao, Y., and Arya, G. (2024) Cluster-Move Monte Carlo Simulation with Analytical van der Waals Potential (Under review)
Wang, Y.*, Zhou, Y.*, Quanpeng Yang, Basak, R., Xie, Y., Le, D., Shipley, W., Frano, A., Arya, G., and Tao, A. (2023). A MultiphysicsApproach for Self-Assembly of Nanocrystal Checkerboards via Non-Specific Interactions. Nature Communications. 15, 3913. https://doi.org/10.1038/s41467-024-47572-2
Jose Cobena-Reyes, Quanpeng Yang, and Martini, A.,(2023).Probabilistic approach to low strain rate atomistic simulations of ultimate tensile strength of polymer crystals. Journal of Chemical Theory and Computation. https://doi.org/10.1021/acs.jctc.3c00570
Panwar, P., Quanpeng Yang, and Martini, A. (2023). Temperature-Dependent Density and Viscosity Prediction of Hydrocarbons: Machine Learning and Molecular Dynamics Simulations. Journal of Chemical Information and Modeling. https://doi.org/10.1021/acs.jcim.3c00231
Panwar, P., Quanpeng Yang, and Martini, A. (2023). PyL3dMD: Python LAMMPS 3D Molecular Descriptors. Journal of Cheminformatics, 15, 69. DOI: 0.1186/s13321-023-00737-5
Pietrangelo, A., Burns, A. B., Charlton, R., DeRocco, M., Gopinadhan, M., Sun, T., Wang, L., Wright, P. J., Stober, S. T., Quanpeng Yang, and Martini A. (2023). Methanol-Assisted ADMET Polymerization of Semiaromatic Amides. ACS Macro Letters, 12(5), 605–611. DOI: 10.1021/acsmacrolett.3c00115
Quanpeng Yang, Eder, S. J., Martini, A., & Grützmacher, P. G. (2023). Effect of surface termination on the balance between friction and failure of Ti3C2T x MXenes. npj Materials Degradation, 7(1), 6. DOI: 10.1038/s41529-023-00326-9
Quanpeng Yang, Li, W., Stober, S. T., Burns, A. B., Gopinadhan, M., & Martini, A. (2022). Effect of Aliphatic Chain Length on the Stress–Strain Response of Semiaromatic Polyamide Crystals. Macromolecules, 55(12), 5071-5079. DOI: 10.1021/acs.macromol.2c00081
Ahmad, K., Quanpeng Yang, & Martini, A. (2022). Simulations of Friction Anisotropy on Self-Assembled Monolayers in Water. Langmuir, 38(20), 6273-6280. DOI: 10.1021/acs.langmuir.1c03234
Quanpeng Yang, Li, W., Stober, S. T., Burns, A. B., Gopinadhan, M., & Martini, A. (2021). Molecular Dynamics Simulation of the Stress–Strain Behavior of Polyamide Crystals. Macromolecules, 54(18), 8289-8302. DOI: 10.1021/acs.macromol.1c00974.
Quanpeng Yang, Nanney, W., Hu, X., Ye, T., & Martini, A. (2020). Nanoscale friction of hydrophilic and hydrophobic self-assembled monolayers in water. Tribology Letters, 68, 1-9. DOI: 10.1007/s11249-020-01301-0.
Hu, X., Quanpeng Yang, Ye, T., & Martini, A. (2020). Simulation of Subnanometer Contrast in Dynamic Atomic Force Microscopy of Hydrophilic Alkanethiol Self-Assembled Monolayers in Water. Langmuir, 36(9), 2240-2246. DOI: 10.1021/acs.langmuir.9b03655.
Lai T, Meng Y, Quanpeng Yang and Huang P. (2018) “Evolution and level behavior of adhesion force by repeated contacts of an AFM colloid probe in dry environment”, The Journal of Adhesion, 94 (4), 313-333. DOI: 10.1080/00218464.2016.1278168
Quanpeng Yang and Huang P. (2016) “Numerical Calculation of Wear Behavior of Pin and Disk”, Lubrication Engineering, 42, 2, 22-28. Link
Quanpeng Yang and Huang P. (2016) “Friction and wear property of glass fiber filled polytetrafluoroethylene (PTFE)”, Hydromechatronics Engineering, 44, 18, 12-18. DOI: 10.3969/j.issn. 1001-3881.2016.18.003
Patents
Liu X and Quanpeng Yang. (2016). Hand-held type bathroom wall purger. CN Patent CN205,322,252 U. China National Intellectual Property Administration. Link
Liu X and Quanpeng Yang. (2016). Hand-held type bathroom wall cleaning device. CN Patent CN105,395,143 A. China National Intellectual Property Administration. Link