Search Results for author: Adam Krzywaniak

Found 1 papers, 0 papers with code

Reducing the Cost of Quantum Chemical Data By Backpropagating Through Density Functional Theory

no code implementations6 Feb 2024 Alexander Mathiasen, Hatem Helal, Paul Balanca, Adam Krzywaniak, Ali Parviz, Frederik Hvilshøj, Blazej Banaszewski, Carlo Luschi, Andrew William Fitzgibbon

For comparison, Sch\"utt et al. (2019) spent 626 hours creating a dataset on which they trained their NN for 160h, for a total of 786h; our method achieves comparable performance within 31h.

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