Onwudinanti, C., Pols, M., Brocks, G., Koelman, J. M. V. A., van Duin, A. C. T., Morgan, T. W., & Tao, S. (2022). A ReaxFF molecular dynamics study of hydrogen diffusion in ruthenium - the role of grain boundaries. Journal Of Physical Chemistry C, 126(13), 5950-5959. https://doi.org/10.1021/acs.jpcc.1c08776(Original work published 2022)