Theoretical investigation on single-wall carbon nanotubes doped with nitrogen, pyridine-like nitrogen defects, and transition metal atoms M Mananghaya, E Rodulfo, GN Santos, AR Villagracia, AN Ladines Journal of Nanomaterials 2012, 62-62, 2012 | 55 | 2012 |
Structural stability of Fe-based topologically close-packed phases AN Ladines, T Hammerschmidt, R Drautz Intermetallics 59, 59-67, 2015 | 35 | 2015 |
BOPfox program for tight-binding and analytic bond-order potential calculations T Hammerschmidt, B Seiser, ME Ford, AN Ladines, S Schreiber, N Wang, ... Computer Physics Communications 235, 221-233, 2019 | 29 | 2019 |
Imaging individual solute atoms at crystalline imperfections in metals S Katnagallu, LT Stephenson, I Mouton, C Freysoldt, APA Subramanyam, ... New Journal of Physics 21 (12), 123020, 2019 | 23 | 2019 |
NOMAD: A distributed web-based platform for managing materials science research data M Scheidgen, L Himanen, AN Ladines, D Sikter, M Nakhaee, Á Fekete, ... Journal of Open Source Software 8 (90), 5388, 2023 | 15 | 2023 |
Crystal-structure analysis with moments of the density-of-states: application to intermetallic topologically close-packed phases T Hammerschmidt, AN Ladines, J Koßmann, R Drautz Crystals 6 (2), 18, 2016 | 15 | 2016 |
Shared metadata for data-centric materials science LM Ghiringhelli, C Baldauf, T Bereau, S Brockhauser, C Carbogno, ... Scientific Data 10 (1), 626, 2023 | 13 | 2023 |
Tight-binding bond parameters for dimers across the periodic table from density-functional theory J Jenke, AN Ladines, T Hammerschmidt, DG Pettifor, R Drautz Physical Review Materials 5 (2), 023801, 2021 | 9 | 2021 |
BOPcat software package for the construction and testing of tight-binding models and bond-order potentials AN Ladines, T Hammerschmidt, R Drautz Computational Materials Science 173, 109455, 2020 | 8 | 2020 |
Ab-initio study of C and N point defects in the C14-Fe2Nb phase AN Ladines, R Drautz, T Hammerschmidt Journal of Alloys and Compounds 693, 1315-1322, 2017 | 6 | 2017 |
Parametrization protocol and refinement strategies for accurate and transferable analytic bond-order potentials: Application to Re APA Subramanyam, J Jenke, AN Ladines, R Drautz, T Hammerschmidt Physical Review Materials 8 (1), 013803, 2024 | 1 | 2024 |
Off-stoichiometric softening and polytypic transformations in the plastic deformation of the C14 Fe2Nb Laves phase AN Ladines, R Drautz, T Hammerschmidt Acta Materialia 260, 119326, 2023 | 1 | 2023 |