%0 Generic %1 bordignon2024replication %A Bordignon, Andrea %A Cances, Eric %A Dusson, Geneviève %A Kemlin, Gaspard %A Lainez Reyes, Rafael Antonio %A Stamm, Benjamin %D 2024 %K ubs_20013 unibibliografie ubs_40429 ubs_30123 ubs_10008 darus %R 10.18419/darus-4469 %T Replication Data for: Fully guaranteed and computable error bounds on the energy for periodic Kohn-Sham equations with convex density functionals %X 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 paper, as well as the code to run your own simulations with the bounds derived in the paper, using the Julia software DFTK.jl.You just have to extract the tar file from this repository to access the files and the associated README.md.

@misc{bordignon2024replication, abstract = {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 paper, as well as the code to run your own simulations with the bounds derived in the paper, using the Julia software DFTK.jl.You just have to extract the tar file from this repository to access the files and the associated README.md. }, added-at = {2024-09-09T11:38:24.000+0200}, affiliation = {Bordignon, Andrea/CERMICS, ENPC and Inria, MATHERIALS, Cances, Eric/CERMICS, ENPC and Inria, MATHERIALS, Dusson, Geneviève/CNRS and LMB, Université de Bourgogne Franche-Comté, Kemlin, Gaspard/LAMFA, Université de Picardie Jules Verne, Lainez Reyes, Rafael/IANS-NMH, University of Stuttgart, Stamm, Benjamin/IANS-NMH, University of Stuttgart}, author = {Bordignon, Andrea and Cances, Eric and Dusson, Geneviève and Kemlin, Gaspard and Lainez Reyes, Rafael Antonio and Stamm, Benjamin}, biburl = {https://puma.ub.uni-stuttgart.de/bibtex/28753a94d5c6ddf595f4b8337c88005b6/unibiblio}, doi = {10.18419/darus-4469}, howpublished = {Software}, interhash = {545b3b97293856756eda790f66b0c33d}, intrahash = {8753a94d5c6ddf595f4b8337c88005b6}, keywords = {ubs_20013 unibibliografie ubs_40429 ubs_30123 ubs_10008 darus}, note = {Related to: A. Bordignon, E. Cancès, G. Dusson, G.Kemlin, R.A. Lainez Reyes, B. Stamm, Fully guaranteed and computable error bounds on the energy for periodic Kohn-Sham equations with convex density functionals, preprint}, orcid-numbers = {Cances, Eric/0000-0002-8876-8254, Dusson, Geneviève/0000-0002-7160-6064, Kemlin, Gaspard/0000-0003-1235-1687, Lainez Reyes, Rafael/0000-0002-3497-5696, Stamm, Benjamin/0000-0003-3375-483X}, timestamp = {2024-12-10T15:10:40.000+0100}, title = {Replication Data for: Fully guaranteed and computable error bounds on the energy for periodic Kohn-Sham equations with convex density functionals}, year = 2024 }