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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: luders m. J Chem Phys. 2020 Mar 31;152(12):124119. doi: 10.1063/1.5142502. J Chem Phys. 2020. PMID: 32241132
The CECAM electronic structure library and the modular software development paradigm.
Oliveira MJT, Papior N, Pouillon Y, Blum V, Artacho E, Caliste D, Corsetti F, de Gironcoli S, Elena AM, García A, García-Suárez VM, Genovese L, Huhn WP, Huhs G, Kokott S, Küçükbenli E, Larsen AH, Lazzaro A, Lebedeva IV, Li Y, López-Durán D, López-Tarifa P, Lüders M, Marques MAL, Minar J, Mohr S, Mostofi AA, O'Cais A, Payne MC, Ruh T, Smith DGA, Soler JM, Strubbe DA, Tancogne-Dejean N, Tildesley D, Torrent M, Yu VW. Oliveira MJT, et al. Among authors: luders m. J Chem Phys. 2020 Jul 14;153(2):024117. doi: 10.1063/5.0012901. J Chem Phys. 2020. PMID: 32668924
Superconducting properties of MgB2 from first principles.
Floris A, Profeta G, Lathiotakis NN, Lüders M, Marques MA, Franchini C, Gross EK, Continenza A, Massidda S. Floris A, et al. Among authors: luders m. Phys Rev Lett. 2005 Jan 28;94(3):037004. doi: 10.1103/PhysRevLett.94.037004. Epub 2005 Jan 25. Phys Rev Lett. 2005. PMID: 15698310
Rare-earth pnictides and chalcogenides from first-principles.
Petit L, Szotek Z, Lüders M, Svane A. Petit L, et al. Among authors: luders m. J Phys Condens Matter. 2016 Jun 8;28(22):223001. doi: 10.1088/0953-8984/28/22/223001. Epub 2016 May 11. J Phys Condens Matter. 2016. PMID: 27165563
Phase transitions in rare earth tellurides under pressure.
Petit L, Svane A, Lüders M, Szotek Z, Vaitheeswaran G, Kanchana V, Temmerman WM. Petit L, et al. Among authors: luders m. J Phys Condens Matter. 2014 Jul 9;26(27):274213. doi: 10.1088/0953-8984/26/27/274213. Epub 2014 Jun 17. J Phys Condens Matter. 2014. PMID: 24934628
17 results