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Npj Computational Materials
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January 9, 2026
Algorithmic differentiation for plane-wave DFT: materials design, error control and learning model parameters
Niklas Frederik Schmitz, Bruno Ploumhans, Michael F Herbst
The Journal of Physical Chemistry Letters
|
October 24, 2022
Algorithmic Differentiation for Automated Modeling of Machine Learned Force Fields
Niklas Frederik Schmitz, Klaus-Robert Müller, Stefan Chmiela
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Search research articles
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Showing results (1-10 of 2) with videos related to
Sort By:
Page
of 1
Npj Computational Materials
|
January 9, 2026
Algorithmic differentiation for plane-wave DFT: materials design, error control and learning model parameters
Niklas Frederik Schmitz, Bruno Ploumhans, Michael F Herbst
The Journal of Physical Chemistry Letters
|
October 24, 2022
Algorithmic Differentiation for Automated Modeling of Machine Learned Force Fields
Niklas Frederik Schmitz, Klaus-Robert Müller, Stefan Chmiela
Page
of 1