Impact of Mn on the solution enthalpy of hydrogen in austenitic Fe-Mn alloys: A first-principles study. - Jörg Von Appen; Richard Dronskowski; Aurab Chakrabarty; Tilmann Hickel; Robert Spatschek; Jörg Neugebauer (J. Comput. Chem., 2014)

Benchmarking the performance of plane-wave vs. localized orbital basis set methods in DFT modeling of metal surface: a case study for Fe-(110). - Kapil Adhikari; Aurab Chakrabarty; Othmane Bouhali; Normand Mousseau; Charlotte S. Becquart; Fedwa El-Mellouhi (J. Comput. Sci., 2018)