From 3363b4f15879bddd5d54c4d5c4d7af93cea7ee58 Mon Sep 17 00:00:00 2001
From: johannes wasmer <johannes.wasmer@gmail.com>
Date: Tue, 10 Sep 2024 04:56:55 +0200
Subject: [PATCH] finished section jij-prediction
---
presentation/mainmatter/jij-prediction.tex | 62 +++++++++++++++++++---
1 file changed, 56 insertions(+), 6 deletions(-)
diff --git a/presentation/mainmatter/jij-prediction.tex b/presentation/mainmatter/jij-prediction.tex
index 298b153..75063d7 100644
--- a/presentation/mainmatter/jij-prediction.tex
+++ b/presentation/mainmatter/jij-prediction.tex
@@ -1,16 +1,66 @@
\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}
+
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%%% mode: latex
%%% TeX-master: "../presentation"
--
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