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Commit 3363b4f1 authored by Johannes Wasmer's avatar Johannes Wasmer
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finished section jij-prediction

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\section{Machine learning magnetic exchange interactions}
\label{sec:ml-exc-inter}
\begin{frame}
\frametitle{TODO}
\TODO{Add slides:}
% Slide jij-prediction
\begin{frame}[plain,c]
\frametitle{Magnetic property prediction}
% \framesubtitle{}
\vspace*{0em}
\begin{columns}[c]
\begin{column}{0.48\linewidth}
% \begin{center}
\includegraphics[width=1.0\linewidth]{../resources/fig/external/papers/mozumderHighthroughputMagneticCodoping2024/processed/Fig4-clip-2x2-a.pdf}%
% \end{center}
\end{column}
\begin{column}{0.5\linewidth}
{\small
\logoAiida -KKR Database of transition metal defects embedded into a topological
insulator, in review\footcite{mozumderHighthroughputMagneticCodoping2024}
\begin{itemize}
\item co-doping and vimp-prediction slides from july
\end{itemize}
\vspace*{1em}
Benchmark study of atomistic ML interatomic potentials trained on the exchange
interaction \(J_{ij}\) for spin dynamics, ongoing
\[
H = -\frac{1}{2}\sum_{i,j}J_{ij} \, \vec{S}_i \cdot \vec{S}_j \longrightarrow J_{ij} = \sum_k \left( J_{ij}
\right)_k
\]
}
\vspace*{0em}
\begin{columns}
\begin{column}{0.55\linewidth}
\begin{center}
\includegraphics[width=0.8\linewidth]{../resources/fig/presentation-2023-06/jij-casus-experiment/parity-SOAP-KRR-rbf-rcut-7.6c.pdf}%
\end{center}
% \vspace*{-0.5em}
% {\scriptsize Parity plot} % figure label
\end{column}
\begin{column}{0.45\linewidth}
\hspace*{-10em}
{\small
\textbf{Data size} 2'000 calculations
\hspace*{-11em}
\textbf{Model} SOAP+KRR
\hspace*{-11em}
\textbf{Best model} \(\mathrm{MAE} = 0.21\),
\hspace*{-5em}
\(\mathrm{R^2} = 0.97\)
\vspace*{0.25em}
}
\end{column}
\end{columns}
\end{column}
\end{columns}
\vspace*{0em}
\end{frame}
%%% Local Variables:
%%% mode: latex
%%% TeX-master: "../presentation"
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