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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: delgado a. J Chem Phys. 2020 Mar 31;152(12):124119. doi: 10.1063/1.5142502. J Chem Phys. 2020. PMID: 32241132
Quantum Simulation of Molecules in Solution.
Castaldo D, Jahangiri S, Delgado A, Corni S. Castaldo D, et al. Among authors: delgado a. J Chem Theory Comput. 2022 Dec 13;18(12):7457-7469. doi: 10.1021/acs.jctc.2c00974. Epub 2022 Nov 9. J Chem Theory Comput. 2022. PMID: 36351289 Free PMC article.
1,712 results