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title = {{Plane-wave pseudopotential implementation of explicit integrators for time-dependent Kohn-Sham equations in large-scale simulations}},  journal = {J. Chem. Phys.},  }  @article{Gygi_2008,  doi = {10.1147/rd.521.0137},  url = {http://dx.doi.org/10.1147/rd.521.0137},  year = {2008},  month = {jan},  publisher = {{IBM}},  volume = {52},  number = {1.2},  pages = {137--144},  author = {F. Gygi},  title = {{Architecture of Qbox: A scalable first-principles molecular dynamics code}},  journal = {{IBM} Journal of Research and Development},  }