Publications of M. J. T. Oliveira

L. M. Ghiringhelli, C. Baldauf, T. Bereau, S. Brockhauser, C. Carbogno, J. Chamanara, S. Cozzini, S. Curtarolo, C. Draxl, S. Dwaraknath, Á. Fekete, J. Kermode, C. T. Koch, M. Kühbach, A. N. Ladines, P. Lambrix, M.-O. Himmer, S. V. Levchenko, M. J. T. Oliveira, A. Michalchuk, R. E. Miller, B. Onat, P. Pavone, G. Pizzi, B. Regler, G.-M. Rignanese, J. Schaarschmidt, M. Scheidgen, A. Schneidewind, T. Sheveleva, C. Su, D. Usvyat, O. Valsson, C. Wöll, and M. Scheffler, Shared metadata for data-centric materials science, Scientific Data 10 (1), 626 (2023).

D. A. F. Almeida, M. J. T. Oliveira, and B. F. Milne, First-principles characterisation of spectroscopic and bonding properties of cationic bismuth carbide clusters, Computational & Theoretical Chemistry 1204, 113372 (2021).

M. J. T. Oliveira, N. Papior, Y. Pouillon, V. Blum, E. Artacho, D. Caliste, F. Corsetti, S. de Gironcoli, A. M. Elena, A. García, V. M. García-Suárez, L. Genovese, W. P. Huhn, G. Huhs, S. Kokott, E. Küçükbenli, A. H. Larsen, A. Lazzaro, I. V. Lebedeva, Y. Li, D. López-Durán, P. López-Tarifa, M. Lüders, M.- A. L. Marques, J. Minar, S. Mohr, A. A. Mostofi, A. O'Cais, M. C. Payne, T. Ruh, D. G. A. Smith, J. M. Soler, D. A. Strubbe, N. Tancogne-Dejean, D. Tildesley, M. Torrent, and V. W.-z. Yu, The CECAM electronic structure library and the modular software development paradigm, The Journal of Chemical Physics 153 (2), 024117 (2020).

N. Tancogne-Dejean, M. J. T. Oliveira, X. Andrade, H. Appel, C. H. Borca, G. Le Breton, F. Buchholz, A. Castro, S. Corni, A. A. Correa, U. de Giovannini, A. Delgado, F. G. Eich, J. Flick, G. Gil, A. Gomez, N. Helbig, H. Hübener, R. Jestädt, J. Jornet-Somoza, A. H. Larsen, I. V. Lebedeva, M. Lüders, M. A. L. Marques, S. T. Ohlmann, S. Pipolo, M. Rampp, C. A. Rozzi, D. A. Strubbe, S. Sato, C. Schäfer, I. Theophilou, A. Welden, and A. Rubio, Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems, The Journal of Chemical Physics 152 (12), 124119 (2020).

R. Jestädt, M. Ruggenthaler, M. J. T. Oliveira, A. Rubio, and H. Appel, Light-matter interactions within the Ehrenfest–Maxwell–Pauli–Kohn–Sham framework: fundamentals, implementation, and nano-optical applications, Advances in Physics 68 (4), 225–333 (2019).

S. Lehtolaa, C. Steigemann, M. J. T. Oliveira, and M. A. L. Marques, Recent developments in libxc — A comprehensive library of functionals for density functional theory, SoftwareX 7, 1–5 (2018).

N. Tancogne-Dejean, M. J. T. Oliveira, and A. Rubio, Self-consistent DFT + U method for real-space time-dependent density functional theory calculations, Physical Review B 96 (24), 245133 (2017).

L. M. Ghiringhelli, C. Carbogno, S. Levchenko, F. Mohamed, G. Huhs, M. Lüders, M. J. T. Oliveira, and M. Scheffler, Towards efficient data exchange and sharing for big-data driven materials science: metadata and data formats, npj Computational Materials 3, UNSP 46 (2017).