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Update publication entry for AD-DFPT paper to NPJ #67

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niklasschmitz merged 1 commit into from
Dec 4, 2025
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Update publication entry for AD-DFPT paper to NPJ #67

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24 changes: 13 additions & 11 deletions _data/publications.bib
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Expand Up @@ -23,17 +23,6 @@ @unpublished{Penz2025myperspective
note = {Unpublished},
}

@unpublished{Schmitz2025adpwdft,
title = {Algorithmic differentiation for plane-wave DFT: materials design, error control and learning model parameters},
code = {https://github.com/niklasschmitz/ad-dfpt},
author = {Schmitz, Niklas Frederik and Ploumhans, Bruno and Herbst, Michael F.},
url = {https://arxiv.org/abs/2509.07785},
year = {2025},
month = {9},
day = {9},
note = {Unpublished},
}

@unpublished{Herbst2025adaptivedfpt,
title = {Efficient Krylov methods for linear response in plane-wave electronic structure calculations},
code = {https://github.com/bonans/inexact_Krylov_response},
Expand All @@ -48,6 +37,19 @@ @unpublished{Herbst2025adaptivedfpt
%
% Peer-reviewed publications
%
@Article{Schmitz2025adpwdft,
title = {Algorithmic differentiation for plane-wave DFT: materials design, error control and learning model parameters},
code = {https://github.com/niklasschmitz/ad-dfpt},
author = {Schmitz, Niklas Frederik and Ploumhans, Bruno and Herbst, Michael F.},
journal = {npj Computational Materials},
year = {2025},
month = {12},
day = {04},
issn = {2057-3960},
doi = {10.1038/s41524-025-01880-3},
url = {https://doi.org/10.1038/s41524-025-01880-3},
}

@article{Herbst2025inversion,
title = {Kohn-Sham inversion with mathematical guarantees},
code = {https://github.com/mfherbst/supporting-my-inversion},
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