diff --git a/notes/hdslee-retreat-talk-notes.org b/notes/hdslee-retreat-talk-notes.org
index 8c83d494eefe002f083fb6188c83cc2aaffb37b0..35e0015bee59c08757819a738cc20fda40f64cac 100644
--- a/notes/hdslee-retreat-talk-notes.org
+++ b/notes/hdslee-retreat-talk-notes.org
@@ -18,7 +18,7 @@
- [[#event-info][Event info]]
- [[#workflow][Workflow]]
- [[#slides-templates][Slides templates]]
- - [[#checklists-07][Checklists]]
+ - [[#checklists-27][Checklists]]
- [[#slides][Slides]]
- [[#journal][Journal]]
- [[#initial-draft][Initial draft]]
@@ -103,23 +103,23 @@ There is a 2023 slide template for PowerPoint in the HDSLEE sciebo folder.
Probably, the LaTeX version should be updated to that.
- Retreat 2024 slides template ppt. [[https://fz-juelich.sciebo.de/apps/files/?dir=/HDS-LEE%20PhD%20Students/Presentation%20slides%20of%20the%20events/Retreat%202024/Talks&fileid=1451917185][URL]].
-** Checklists [0/7]
+** Checklists [2/7]
:PROPERTIES:
:CUSTOM_ID: h-2E64B36D-89F7-489B-BBFA-37AE2EC0B74E
:END:
-- [ ] Section Frontmatter
- - [ ] titlepage
- - [ ] slides repo
- - [ ] outline
-- [ ] Section Introduction
- - [ ] the most important problem
- - [ ] Corporate research AI4Science
- - [ ] WFT and DFT
- - [ ] 5th paradigm
- - [ ] Quantum materials
- - [ ] JuDFT
- - [ ] AiiDA
- - [ ] The full pipeline
+- [X] Section Frontmatter
+ - [X] titlepage
+ - [X] slides repo
+ - [X] outline
+- [X] Section Introduction
+ - [X] the most important problem
+ - [X] Corporate research AI4Science
+ - [X] WFT and DFT
+ - [X] 5th paradigm
+ - [X] Quantum materials
+ - [X] JuDFT
+ - [X] AiiDA
+ - [X] The full pipeline
- [ ] Section Machine learning exchange interactions
- [ ] AiiDA workflows
- [ ] results Jijs
diff --git a/presentation/mainmatter/introduction.tex b/presentation/mainmatter/introduction.tex
index e35798ef222b76f504a64afd9d70be1bc2525b66..492f0294cbee42f4d2b3d49780ada0acf7b4c919 100644
--- a/presentation/mainmatter/introduction.tex
+++ b/presentation/mainmatter/introduction.tex
@@ -1,11 +1,15 @@
\section{The most important problem}
\label{sec:intro}
+% Slide Opening - The most important problem
\begin{frame}[c,plain]
% \frametitle{}
\begin{center}
{\Huge \textcolor{fzjblue}{What is the most important problem right
- now?}}
+ now?*}}
+
+ \vspace*{2em}
+ \uncover<2->{{\scriptsize *imho}}
\end{center}
\end{frame}
@@ -109,7 +113,10 @@
\end{center}
\end{column}
\begin{column}{0.25\linewidth}
- Computing power trends in relation to global power consumption 2010 to 2030.
+ Computing power trends in relation to global power consumption 2010 to
+ 2030.
+
+ The share rises from 5 to 15 \% from 2010 to 2030
\footcite{andraeHypothesesPrimaryEnergy2020}.
\end{column}
\end{columns}
@@ -249,8 +256,6 @@
\end{columns}
\end{frame}
-
-
% Slide The most important problem 8 Is not fast enough alone
\begin{frame}%[c,plain]
\frametitle{The most important problem}
@@ -258,6 +263,17 @@
\includegraphics[width=1.0\textwidth]{../resources/fig/presentation-2024-09/the-most-important-problem/mip-8.pdf}
\end{frame}
+
+% Slide Industry research
+\begin{frame}[c,plain]
+ \frametitle{\enquote{Big AI} has joined the game}
+ % \framesubtitle{}
+ \vspace*{0em}
+ \hspace*{-2em}
+ \includegraphics[width=1.2\textwidth]{../resources/fig/presentation-2024-09/industry-research/6-entries.pdf}%
+\end{frame}
+
+
% Slide The most important problem 9 AI to the rescue!
\begin{frame}%[c,plain]
\frametitle{The most important problem}
@@ -266,6 +282,89 @@
\end{frame}
+% Slide All-electron DFT, JuDFT
+\begin{frame}[c,plain]
+ \frametitle{All-electron DFT is the gold standard}
+ \framesubtitle{A frontier for electronic structure machine learning, developed
+ in Jülich}
+ \vspace*{-1em}
+
+ % bottom. JuDFT codes
+ \begin{center}
+ % {\small \textbf{\color{fzjblue}{Code development}}}
+
+ \begin{columns}[t]
+ \begin{column}{0.20\linewidth}
+ \hspace*{2em}
+ \vspace*{1.0em}
+ \includegraphics[width=0.5\textwidth]{../resources/fig/logos/juDFT/FLEUR/fleur-cropped-no-url.png}%
+ \end{column}
+ \begin{column}{0.20\linewidth}
+ \hspace*{0em}
+ \vspace*{-3.0em}
+\includegraphics[width=0.75\textwidth]{../resources/fig/logos/juDFT/JuKKR/jukkr-cropped.png}%
+ \end{column}
+ \begin{column}{0.20\linewidth}
+ \hspace*{0em}
+ \vspace*{-3.0em}
+\includegraphics[width=0.75\textwidth]{../resources/fig/logos/juDFT/Spirit/spirit-original-with-text.png}%
+ \end{column}
+ \begin{column}{0.20\linewidth}
+ \hspace*{0em}
+ \vspace*{-3.0em}
+ \includegraphics[width=0.75\textwidth]{../resources/fig/logos/aiida/aiida.png}%
+ \end{column}
+ \end{columns}
+
+ \vspace*{1em}
+ {\large \href{http://judft.de}{judft.de} \quad \textbf{//} \quad \faGithub{} \href{https://github.com/JuDFTteam}{JuDFTteam}}
+ \end{center}
+
+ % \vspace*{1em}\hrule{}\vspace*{0em}
+ \vspace*{1em}
+
+ \begin{columns}[c]
+ \begin{column}{0.8\linewidth}
+ \begin{center}
+ \includegraphics[width=1.0\textwidth]{../resources/fig/external/papers/bosoniHowVerifyPrecision2024/fig4-clip2.pdf}%
+ \end{center}
+ \end{column}
+ \begin{column}{0.2\linewidth}
+ {\small Discrepancy of the equilibrium volume \(V_0\), the bulk modulus \(B_0\)
+ across popular DFT codes\footcite{bosoniHowVerifyPrecision2024}}
+ \end{column}
+ \end{columns}
+\end{frame}
+
+% Slide The full pipeline
+\begin{frame}
+ \frametitle{The full proposed hybrid pipeline}
+ % \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}
diff --git a/presentation/mainmatter/jij-prediction.tex b/presentation/mainmatter/jij-prediction.tex
new file mode 100644
index 0000000000000000000000000000000000000000..298b1533e1dce4d34d48d4fe3bb0620f51323e65
--- /dev/null
+++ b/presentation/mainmatter/jij-prediction.tex
@@ -0,0 +1,19 @@
+\section{Machine learning magnetic exchange interactions}
+\label{sec:ml-exc-inter}
+
+\begin{frame}
+ \frametitle{TODO}
+
+ \TODO{Add slides:}
+
+ \begin{itemize}
+ \item co-doping and vimp-prediction slides from july
+ \end{itemize}
+\end{frame}
+
+%%% Local Variables:
+%%% mode: latex
+%%% TeX-master: "../presentation"
+%%% mode: flyspell
+%%% ispell-local-dictionary: "english"
+%%% End:
diff --git a/presentation/mainmatter/outlook.tex b/presentation/mainmatter/outlook.tex
new file mode 100644
index 0000000000000000000000000000000000000000..d31a941c22bc6f3bc8039433d67838097b87e32a
--- /dev/null
+++ b/presentation/mainmatter/outlook.tex
@@ -0,0 +1,20 @@
+\section{Outlook}
+\label{sec:outlook}
+
+\begin{frame}
+ \frametitle{TODO}
+
+ \TODO{Add slides:}
+
+ \begin{itemize}
+ \item deep spin models HIDA
+ \item best-of-aml list DAEMON
+ \end{itemize}
+\end{frame}
+
+%%% Local Variables:
+%%% mode: latex
+%%% TeX-master: "../presentation"
+%%% mode: flyspell
+%%% ispell-local-dictionary: "english"
+%%% End:
diff --git a/presentation/mainmatter/vimp-prediction.tex b/presentation/mainmatter/vimp-prediction.tex
new file mode 100644
index 0000000000000000000000000000000000000000..030ded907fb68e918fb5d2defe1fc8ad2816e796
--- /dev/null
+++ b/presentation/mainmatter/vimp-prediction.tex
@@ -0,0 +1,21 @@
+\section{Electronic structure learning}
+\label{sec:ml-fpo}
+
+\begin{frame}
+ \frametitle{TODO}
+
+ \TODO{Add slides:}
+
+ \begin{itemize}
+ \item KKR-JLCDM framework theory
+ \item some new potential plots 1D 3D
+ \end{itemize}
+\end{frame}
+
+
+%%% Local Variables:
+%%% mode: latex
+%%% TeX-master: "../presentation"
+%%% mode: flyspell
+%%% ispell-local-dictionary: "english"
+%%% End:
diff --git a/presentation/presentation.tex b/presentation/presentation.tex
index 09460482e2db6d2707000a285318841abd9273a3..ec93aaf36d2a8673495db6869736780d1dc24a02 100644
--- a/presentation/presentation.tex
+++ b/presentation/presentation.tex
@@ -165,19 +165,23 @@
% \input{frontmatter/slides-repo}
% slide outline % Section frontmatter
-% \AtBeginSection[]{} % prevent TOC being printed before every section (default)
-\begin{frame}[t]
- \frametitle{Outline}
- \tableofcontents
-\end{frame}
+\AtBeginSection[]{} % prevent TOC being printed before every section (default)
+ % this effectively disables the outline
+% % Manual outline at start of talk, optional
+% \begin{frame}[t]
+% \frametitle{Outline}
+% \tableofcontents
+% \end{frame}
% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% MAINMATTER
% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\input{mainmatter/introduction}
-% \input{mainmatter/kkr-theory}
-% \input{mainmatter/kkr-jlcdm}
+\input{mainmatter/jij-prediction}
+\input{mainmatter/vimp-prediction}
+\input{mainmatter/outlook}
+
% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% BACKMATTER
@@ -192,3 +196,8 @@
%%% mode: latex
%%% TeX-master: t
%%% End:
+
+
+% exch spirit jukkr
+% slide numbers
+% kkr fleur identical accuracy