Investigating Tribochemical Reactions Using Reactive Molecular Dynamics Simulations - Arash Khajeh (2021)

A cloud platform for automating and sharing analysis of raw simulation data from high throughput polymer molecular dynamics simulations. - Tian Xie; Ha-Kyung Kwon; Daniel Schweigert; Sheng Gong; Arthur France-Lanord; Arash Khajeh; Emily Crabb; Michael Puzon; Chris Fajardo; Will Powelson; Yang Shao-Horn; Jeffrey C. Grossman (CoRR, 2022)