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Sep 6, 2024
Bordignon, Andrea; Cances, Eric; Dusson, Geneviève; Kemlin, Gaspard; Lainez Reyes, Rafael; Stamm, Benjamin, 2024, "Replication Data for: Fully guaranteed and computable error bounds on the energy for periodic Kohn-Sham equations with convex density functionals", https://doi.org/10.18419/darus-4469, DaRUS, V1
Data for reproducibility of the numerical simulations of the research paper "Fully guaranteed and computable error bounds on the energy for periodic Kohn-Sham equations with convex density functionals". The .zip file contains everything needed to generate the plots shown in the p... |
Feb 26, 2024
Nottoli, Michele; Herbst, Michael F.; Mikhalev, Aleksandr; Jha, Abhinav; Lipparini, Filippo; Stamm, Benjamin, 2024, "Replication Data for: "ddX: Polarizable Continuum Solvation from Small Molecules to Proteins"", https://doi.org/10.18419/darus-4030, DaRUS, V1
Data for reproducibility of the numerical simulations of the research paper "ddX: Polarizable Continuum Solvation from Small Molecules to Proteins". |