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Journal of Chemical Information and Modeling|August 15, 2023
Temperature-Dependent Density and Viscosity Prediction for Hydrocarbons: Machine Learning and Molecular Dynamics SimulationsPawan Panwar, Quanpeng Yang, Ashlie MartiniJournal of Cheminformatics|July 28, 2023
PyL3dMD: Python LAMMPS 3D molecular descriptors packagePawan Panwar, Quanpeng Yang, Ashlie MartiniLangmuir : the ACS Journal of Surfaces and Colloids|May 13, 2022
Simulations of Friction Anisotropy on Self-Assembled Monolayers in WaterKhurshid Ahmad, Quanpeng Yang, Ashlie MartiniLangmuir : the ACS Journal of Surfaces and Colloids|February 12, 2020
Simulation of Subnanometer Contrast in Dynamic Atomic Force Microscopy of Hydrophilic Alkanethiol Self-Assembled Monolayers in WaterXiaoli Hu, Quanpeng Yang, Tao Ye, et al.Journal of Chemical Theory and Computation|August 29, 2023
Probabilistic Approach to Low Strain Rate Atomistic Simulations of Ultimate Tensile Strength of Polymer CrystalsJosé Cobeña-Reyes, Quanpeng Yang, Spencer T Stober, et al.Langmuir : the ACS Journal of Surfaces and Colloids|November 25, 2014
Atomistic simulation of the load dependence of nanoscale friction on suspended and supported grapheneZhijiang Ye, Ashlie MartiniJournal of Chemical Theory and Computation|February 24, 2026
Machine Learning Interatomic Potentials Enable Molecular Dynamics Simulations of Doped MoS2Abrar Faiyad, Ashlie MartiniJournal of Cheminformatics|July 3, 2026
Computational design of low-volatility lubricants for space using interpretable machine learningDaniel Miliate, Ashlie MartiniNanoscale|October 28, 2017
Atomistic simulations of contact area and conductance at nanoscale interfacesXiaoli Hu, Ashlie MartiniNanotechnology|August 23, 2013
Atomic roughness enhanced friction on hydrogenated grapheneYalin Dong, Xiawa Wu, Ashlie MartiniPageof 8