Quanpeng (Sam) Yang

Postdoctoral Fellow

Contact Information

  • Office Location: 3389 CIEMAS
  • Email Address: quanpeng.yang@duke.edu


  • BS, Mechanical Engineering, Guangdong University of Technology, 2013
  • MS, Mechanical Engineering, South China University of Technology, 2017
  • PhD, Mechanical Engineering, University of California Merced, 2022

Research Interests

My current research is on computational DNA nanotechnology, specifically using statistics mechanics, coarse-grained models, Brownian dynamics simulations to develop dynamic DNA devices and understand their behavior. During my Ph.D., I applied all-atom molecular dynamics simulations to study mechanical properties of 2D/nano and polymeric materials, including MXenes, self-assembled monolayers, molybdenum disulfide, and high-performance polyamides. 

Representative Publications:

  • Q Yang, P Grützmacher, S Eder, and A Martini. Effect of Surface Termination on the Balance between Friction and Failure of Ti3C2Tx MXenes. NPJ Materials Degradation. (Under review)
  • P Panwar, Q Yang, and A Martini. PyL3dMD: Python LAMMPS 3D Molecular Descriptors. Journal of Cheminformatics. (Under review)
  • Q Yang, W Li, S Stober, A Burns, M Gopinadhan, and A Martini. Effect of Aliphatic Chain Length on the Stress-strain Response of Semi-aromatic Polyamide Crystals. Macromolecules 55, 12, 5071-5079, 2022.
  • Q Yang, W Li, S Stober, A Burns, M Gopinadhan, and A Martini. Molecular Dynamics Simulation of the Stress–Strain Behavior of Polyamide Crystals. Macromolecules. 54, 18, 8289-8302, 2021.
  • X Hu, Q Yang, W Nanney, T Ye, and A Martini. Simulation of Sub-nanometer Contrast in Dynamic Atomic Force Microscopy of Hydrophilic Alkanethiol Self-Assembled Monolayers in Water. Langmuir. 36, 9, 2240-2246, 2020.
  • Q Yang, X Hu, W Nanney, T Ye, and A Martini. Nanoscale Friction of Hydrophilic and Hydrophobic Self-Assembled Monolayers in Water. Tribology Letters. 68, 1-9, 2020