diff --git a/presentation/mainmatter/introduction.tex b/presentation/mainmatter/introduction.tex index 4c9a6371fe5577a878344cf767ad05c186e21bf2..eab89fd3065cd1bf2b2ed5867126f930d5caf417 100644 --- a/presentation/mainmatter/introduction.tex +++ b/presentation/mainmatter/introduction.tex @@ -404,38 +404,6 @@ \end{center} \end{frame} -% Slide The full pipeline -\begin{frame} - \frametitle{Electronic structure learning} - \framesubtitle{as integrated, high-level multiscale workflows} - % \framesubtitle{\href{https://go.fzj.de/wasmer}{go.fzj.de/wasmer}} - \vspace*{0em} - - \includegraphics[width=1.0\textwidth]{../resources/fig/presentation-2023-02/atomistic-ml/classification-of-atomistic-ml_presentation-2023-02_02-emph-both_ktikz.pdf} - - \vspace*{2em} - \begin{columns}[t] - \hspace{1em} - \begin{column}{0.6\linewidth} - \begin{center} - Electronic structure learning - - for fast SCF convergence - \end{center} - \end{column} - \vrule{} - \hspace{1em} - \begin{column}{0.39\linewidth} - \begin{center} - Magnetic property prediction - - for spin dynamics simulation - \end{center} - \end{column} - \end{columns} -\end{frame} - - %%% Local Variables: %%% mode: latex %%% TeX-master: "../presentation" diff --git a/presentation/mainmatter/vimp-prediction.tex b/presentation/mainmatter/vimp-prediction.tex index 4215a6081c00de9309419f6fea0eafd8ceb30002..28686db7ace70aca598d6c42360d70ba97345003 100644 --- a/presentation/mainmatter/vimp-prediction.tex +++ b/presentation/mainmatter/vimp-prediction.tex @@ -1,10 +1,43 @@ \section{Electronic structure learning} \label{sec:ml-esm} + +% Slide The full pipeline +\begin{frame} + \frametitle{Vision: Electronic structure learning} + \framesubtitle{as integrated, high-level multiscale workflows} + % \framesubtitle{\href{https://go.fzj.de/wasmer}{go.fzj.de/wasmer}} + \vspace*{0em} + + \includegraphics[width=1.0\textwidth]{../resources/fig/presentation-2023-02/atomistic-ml/classification-of-atomistic-ml_presentation-2023-02_02-emph-both_ktikz.pdf} + + \vspace*{2em} + \begin{columns}[t] + \hspace{1em} + \begin{column}{0.6\linewidth} + \begin{center} + Electronic structure learning + + for fast SCF convergence + \end{center} + \end{column} + \vrule{} + \hspace{1em} + \begin{column}{0.39\linewidth} + \begin{center} + Magnetic property prediction + + for spin dynamics simulation + \end{center} + \end{column} + \end{columns} +\end{frame} + + % Slide dataset generation (single-impurity-database) \begin{frame}[plain] \frametitle{Data generation} - \framesubtitle{with \logoAiida -KKR} + \framesubtitle{for this project, with \logoAiida -KKR} % frametitle notes: Vimp-prediction qnd \begin{columns}[c] @@ -57,6 +90,31 @@ \end{columns} \end{frame} +% Slide Jacobi-Legendre framework +\begin{frame}[plain,c] + \frametitle{The Jacobi-Legendre framework\footcite{dominaJacobiLegendreFrameworkMachine2024}} + \framesubtitle{for electronic structure representation} + \vspace*{0em} + \begin{columns}[c] + \begin{column}{0.68\linewidth} + \begin{center} + % \includegraphics[width=1.0\linewidth]{../resources/fig/external/papers/dominaJacobiLegendreFrameworkMachine2024/processed/fig5.1-with-polynomials.png}% + + \includegraphics[width=0.9\linewidth]{../resources/fig/external/papers/dominaJacobiLegendreFrameworkMachine2024/originals/fig4.1.pdf}% + \vspace*{0.0em} + \includegraphics[width=0.9\linewidth]{../resources/fig/external/papers/dominaJacobiLegendreFrameworkMachine2024/processed/fig-5.1-first-row-only.png}% + \end{center} + \end{column} + \vrule{} % vertical separator line + \hspace*{1em} + \begin{column}{0.32\linewidth} + \vspace*{0em} + + \includegraphics[width=0.75\linewidth]{../resources/fig/external/papers/dominaJacobiLegendreFrameworkMachine2024/processed/fig6.2-300dpi-narrower-1.png}% + \end{column} + \end{columns} + \vspace*{0em} +\end{frame} %%% Local Variables: %%% mode: latex