Classical density functional theory in three dimensions with GPU-accelerated automatic differentiation: Computational performance analysis using the example of adsorption in covalent-organic frameworks
%0 Journal Article
%1 Stierle2024
%A Stierle, Rolf
%A Bauer, Gernot
%A Thiele, Nadine
%A Bursik, Benjamin
%A Rehner, Philipp
%A Gross, Joachim
%D 2024
%J Chemical Engineering Science
%K itt
%P 120380
%R 10.1016/j.ces.2024.120380
%T Classical density functional theory in three dimensions with GPU-accelerated automatic differentiation: Computational performance analysis using the example of adsorption in covalent-organic frameworks
%V 298
@article{Stierle2024,
added-at = {2024-06-26T07:45:18.000+0200},
author = {Stierle, Rolf and Bauer, Gernot and Thiele, Nadine and Bursik, Benjamin and Rehner, Philipp and Gross, Joachim},
biburl = {https://puma.ub.uni-stuttgart.de/bibtex/27e778ba25cc6d72680c1353f1a494844/itt},
doi = {10.1016/j.ces.2024.120380},
interhash = {3e687555c0df03df2e462262db5c9115},
intrahash = {7e778ba25cc6d72680c1353f1a494844},
journal = {Chemical Engineering Science},
keywords = {itt},
month = {10},
pages = 120380,
timestamp = {2024-08-06T13:56:17.000+0200},
title = {Classical density functional theory in three dimensions with GPU-accelerated automatic differentiation: Computational performance analysis using the example of adsorption in covalent-organic frameworks},
volume = 298,
year = 2024
}
