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A substitutional quantum defect in WS2 discovered by high-throughput computational screening and fabricated by site-selective STM manipulation.
Thomas JC, Chen W, Xiong Y, Barker BA, Zhou J, Chen W, Rossi A, Kelly N, Yu Z, Zhou D, Kumari S, Barnard ES, Robinson JA, Terrones M, Schwartzberg A, Ogletree DF, Rotenberg E, Noack MM, Griffin S, Raja A, Strubbe DA, Rignanese GM, Weber-Bargioni A, Hautier G. Thomas JC, et al. Among authors: strubbe da. Nat Commun. 2024 Apr 26;15(1):3556. doi: 10.1038/s41467-024-47876-3. Nat Commun. 2024. PMID: 38670956 Free article.
One-dimensional organic metal halide nanoribbons with dual emission.
Lee S, Karkee R, Ben-Akacha A, Luong D, Vellore Winfred JSR, Lin X, Strubbe DA, Ma B. Lee S, et al. Among authors: strubbe da. Chem Commun (Camb). 2023 Mar 23;59(25):3711-3714. doi: 10.1039/d3cc00044c. Chem Commun (Camb). 2023. PMID: 36896804
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: strubbe da. 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: strubbe da. J Chem Phys. 2020 Jul 14;153(2):024117. doi: 10.1063/5.0012901. J Chem Phys. 2020. PMID: 32668924
12 results