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Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems.
Andrade X, Strubbe D, De Giovannini U, Larsen AH, Oliveira MJ, Alberdi-Rodriguez J, Varas A, Theophilou I, Helbig N, Verstraete MJ, Stella L, Nogueira F, Aspuru-Guzik A, Castro A, Marques MA, Rubio A. Andrade X, et al. Among authors: castro a. Phys Chem Chem Phys. 2015 Dec 21;17(47):31371-96. doi: 10.1039/c5cp00351b. Phys Chem Chem Phys. 2015. PMID: 25721500 Free article.
Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems.
Tancogne-Dejean N, Oliveira MJT, Andrade X, Appel H, Borca CH, Le Breton G, Buchholz F, Castro A, Corni S, Correa AA, De Giovannini U, Delgado A, Eich FG, Flick J, Gil G, Gomez A, Helbig N, Hübener H, Jestädt R, Jornet-Somoza J, Larsen AH, Lebedeva IV, Lüders M, Marques MAL, Ohlmann ST, Pipolo S, Rampp M, Rozzi CA, Strubbe DA, Sato SA, Schäfer C, Theophilou I, Welden A, Rubio A. Tancogne-Dejean N, et al. Among authors: castro a. J Chem Phys. 2020 Mar 31;152(12):124119. doi: 10.1063/1.5142502. J Chem Phys. 2020. PMID: 32241132 Free article.
Optical and magnetic properties of boron fullerenes.
Botti S, Castro A, Lathiotakis NN, Andrade X, Marques MA. Botti S, et al. Among authors: castro a. Phys Chem Chem Phys. 2009 Jun 14;11(22):4523-7. doi: 10.1039/b902278c. Epub 2009 Apr 9. Phys Chem Chem Phys. 2009. PMID: 19475170
Time-dependent density-functional theory in massively parallel computer architectures: the OCTOPUS project.
Andrade X, Alberdi-Rodriguez J, Strubbe DA, Oliveira MJ, Nogueira F, Castro A, Muguerza J, Arruabarrena A, Louie SG, Aspuru-Guzik A, Rubio A, Marques MA. Andrade X, et al. Among authors: castro a. J Phys Condens Matter. 2012 Jun 13;24(23):233202. doi: 10.1088/0953-8984/24/23/233202. Epub 2012 May 4. J Phys Condens Matter. 2012. PMID: 22562950 Free article.
4,753 results