Suchergebnisse

Zeitschriftenartikel (6)

2020
Zeitschriftenartikel
The CECAM electronic structure library and the modular software development paradigm
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, V. W.-z. Yu
The Journal of Chemical Physics 153 (2), 024117 (2020)
Zeitschriftenartikel
Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems
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, A. Rubio
The Journal of Chemical Physics 152 (12), 124119 (2020)
2019
Zeitschriftenartikel
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)
2018
Zeitschriftenartikel
Recent developments in libxc — A comprehensive library of functionals for density functional theory
S. Lehtolaa, C. Steigemann, M. J. T. Oliveira, M. A. L. Marques
SoftwareX 7, 1–5 (2018)
2017
Zeitschriftenartikel
Self-consistent DFT + U method for real-space time-dependent density functional theory calculations
Physical Review B 96 (24), 245133 (2017)
Zeitschriftenartikel
Towards efficient data exchange and sharing for big-data driven materials science: metadata and data formats
L. M. Ghiringhelli, C. Carbogno, S. Levchenko, F. Mohamed, G. Huhs, M. Lüders, M. J. T. Oliveira, M. Scheffler
npj Computational Materials 3, UNSP 46 (2017)
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