Publikationen von M. J. T. Oliveira

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

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

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

Tancogne-Dejean, N.; Oliveira, M. J. T.; Andrade, X.; Appel, H.; Borca, C. H.; Le Breton, G.; Buchholz, F.; Castro, A.; Corni, S.; Correa, A. A. et al.; de Giovannini, U.; Delgado, A.; Eich, F. G.; Flick, J.; Gil, G.; Gomez, A.; Helbig, N.; Hübener, H.; Jestädt, R.; Jornet-Somoza, J.; Larsen, A. H.; Lebedeva, I. V.; Lüders, M.; Marques, M. A. L.; Ohlmann, S. T.; Pipolo, S.; Rampp, M.; Rozzi, C. A.; Strubbe, D. A.; Sato, S.; Schäfer, C.; Theophilou, I.; Welden, A.; Rubio, A.: 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)

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

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

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

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