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PhD project wasmer
Presentations
2025-02-03-talk-daemon
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update submodules
· 86c9937a
Johannes Wasmer
authored
1 month ago
86c9937a
finished slide % Slide Jacobi-Legendre framework
· f4ee96dd
Johannes Wasmer
authored
1 month ago
f4ee96dd
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presentation/mainmatter/introduction.tex
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-32
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presentation/mainmatter/introduction.tex
presentation/mainmatter/vimp-prediction.tex
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presentation/mainmatter/vimp-prediction.tex
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presentation/mainmatter/introduction.tex
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f4ee96dd
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@@ -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"
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presentation/mainmatter/vimp-prediction.tex
View file @
f4ee96dd
\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
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resources
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85c94f63
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85c94f63
Subproject commit
6a633211f225739e8d7f66fd9ccc156c80e27be4
Subproject commit
85c94f63fc26dea6864a9759d46f89f1ab014e35
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