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Journal of Chemical Theory and Computation|February 24, 2026
Machine Learning Interatomic Potentials Enable Molecular Dynamics Simulations of Doped MoS<sub>2</sub>Abrar Faiyad, Ashlie MartiniTribology Letters|August 4, 2025
Temperature‑Dependent Friction, Wear, and Life of MoS₂ Dry Film Lubricants for Space Mechanisms: A Comprehensive ReviewAbrar Faiyad, Daniel Miliate, Samuel Leventini, et al.The Journal of Chemical Physics|February 25, 2026
Deriving effective electrode-ion interactions from free-energy profiles at electrochemical interfacesFabrice Roncoroni, Abrar Faiyad, Yichen Li, 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 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 MartiniPhysical Chemistry Chemical Physics : PCCP|April 27, 2021
Deformation mechanisms of Inconel-718 at the nanoscale by molecular dynamicsAbrar Faiyad, Md Adnan Mahathir Munshi, Md Mahbubul Islam, et al.Langmuir : the ACS Journal of Surfaces and Colloids|May 13, 2022
Simulations of Friction Anisotropy on Self-Assembled Monolayers in WaterKhurshid Ahmad, Quanpeng Yang, Ashlie MartiniJournal 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 MartiniNanotechnology|August 23, 2013
Atomic roughness enhanced friction on hydrogenated grapheneYalin Dong, Xiawa Wu, Ashlie MartiniPageof 8