MatMat<p>New preprint: <a href="https://arxiv.org/abs/2509.07785" rel="nofollow noopener" translate="no" target="_blank"><span class="invisible">https://</span><span class="">arxiv.org/abs/2509.07785</span><span class="invisible"></span></a></p><p>We present an implementation of AD-DFPT, a unification of <a href="https://social.epfl.ch/tags/automaticdifferentiation" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>automaticdifferentiation</span></a> with classical <a href="https://social.epfl.ch/tags/dfpt" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>dfpt</span></a> response techniques for <a href="https://social.epfl.ch/tags/densityfunctionaltheory" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>densityfunctionaltheory</span></a> (<a href="https://social.epfl.ch/tags/dft" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>dft</span></a>). We demonstrate its use for <a href="https://social.epfl.ch/tags/property" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>property</span></a> predition, <a href="https://social.epfl.ch/tags/uncertainty" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>uncertainty</span></a> propagation, design of new <a href="https://social.epfl.ch/tags/materials" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>materials</span></a> as well as the <a href="https://social.epfl.ch/tags/machinelearning" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>machinelearning</span></a> of new <a href="https://social.epfl.ch/tags/dft" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>dft</span></a> models.</p><p><a href="https://social.epfl.ch/tags/condensedmatter" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>condensedmatter</span></a> <a href="https://social.epfl.ch/tags/planewave" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>planewave</span></a> <a href="https://social.epfl.ch/tags/response" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>response</span></a> <a href="https://social.epfl.ch/tags/physics" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>physics</span></a> <a href="https://social.epfl.ch/tags/simulation" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>simulation</span></a> <a href="https://social.epfl.ch/tags/computation" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>computation</span></a></p>