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PhD project wasmer
Presentations
2025-02-03-talk-daemon
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update submodules
· 127ac4dc
Johannes Wasmer
authored
1 month ago
127ac4dc
slide all-electron DFT finished
· eade1d24
Johannes Wasmer
authored
1 month ago
eade1d24
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notes/daemon-talk-notes.org
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-3
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notes/daemon-talk-notes.org
presentation/mainmatter/introduction.tex
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presentation/mainmatter/introduction.tex
resources
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notes/daemon-talk-notes.org
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eade1d24
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@@ -22,7 +22,7 @@
- [[#event-info][Event info]]
- [[#workflow][Workflow]]
- [[#slides-templates][Slides templates]]
- [[#checklists-
2
5][Checklists]]
- [[#checklists-
1
5][Checklists]]
- [[#slides][Slides]]
- [[#outline][Outline]]
- [[#journal][Journal]]
...
...
@@ -146,7 +146,7 @@ Using the FZJ LaTeX slides template bemaertheme-juelich.
- https://gitlab.jsc.fz-juelich.de/kabadshow1/beamertheme-juelich
- https://gitlab.jsc.fz-juelich.de/kabadshow1/beamerpostertheme-juelich
* Checklists [
2
/5]
* Checklists [
1
/5]
:PROPERTIES:
:CUSTOM_ID: h-2E64B36D-89F7-489B-BBFA-37AE2EC0B74E
:END:
...
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@@ -154,8 +154,9 @@ Using the FZJ LaTeX slides template bemaertheme-juelich.
- [X] titlepage
- [X] slides repo
- [X] outline
- [
X
] Section Introduction
- [
-
] Section Introduction
- [X] My STSM
- [X] Materials classification (quantum materials)
- [ ] All-electron DFT
- [ ] Section Machine learning all-electron potential
- [ ] JLCDM
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presentation/mainmatter/introduction.tex
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eade1d24
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@@ -252,6 +252,98 @@
\end{frame}
% Slide all-electron DFT codes / juDFT % Section introduction
\begin{frame}
[c,plain]
\frametitle
{
All-electron DFT for quantum materials
}
% \framesubtitle{\dots{} is crucial for quantum materials}
\vspace*
{
0em
}
\begin{columns}
[t]
\begin{column}
{
0.35
\linewidth
}
\vspace*
{
1em
}
\begin{minipage}
{
\linewidth
}
{
\renewcommand
{
\footnotesize
}{
\tiny
}
%
{
\small
Only a handful of solid-state DFT codes are all-electron, full-potential,
fully relativistic for data generation
\footcite
{
talirzTrendsAtomisticSimulation2021a
}
.
}
}
\end{minipage}
\vspace*
{
1em
}
\begin{center}
\begin{columns}
[c]
\begin{column}
{
0.25
\linewidth
}
\hspace*
{
0em
}
\includegraphics
[width=1.0\textwidth]
{
../resources/fig/logos/wien2k/wien2k-logo.png
}
\vspace*
{
2em
}
\includegraphics
[width=1.0\textwidth]
{
../resources/fig/logos/elk-code/elk-code-logo.pdf
}
\vspace*
{
2em
}
\dots
{}
\end{column}
\begin{column}
{
0.25
\linewidth
}
\hspace*
{
0em
}
\includegraphics
[width=1.0\textwidth]
{
../resources/fig/logos/fplo-code/fplo-code-logo.png
}
\vspace*
{
2em
}
\includegraphics
[width=1.0\textwidth]
{
../resources/fig/logos/juDFT/juDFT-cropped.png
}
\vspace*
{
2em
}
\includegraphics
[width=1.0\textwidth]
{
../resources/fig/logos/exciting/exciting-logo.png
}
\end{column}
\end{columns}
\end{center}
\end{column}
\vrule
{}
\hspace*
{
2em
}
\begin{column}
{
0.55
\linewidth
}
The
\textbf
{
\href
{
http://judft.de
}{
juDFT.de
}}
codes are a
\enquote
{
gold
standard
}
for accuracy and HT-ready with
\logoAiida
{}
integration.
\begin{center}
\begin{columns}
[t]
\begin{column}
{
0.20
\linewidth
}
\hspace*
{
0em
}
\vspace*
{
1.0em
}
\includegraphics
[width=0.75\textwidth]
{
../resources/fig/logos/juDFT/FLEUR/fleur-cropped-no-url.png
}
%
\end{column}
\begin{column}
{
0.20
\linewidth
}
\hspace*
{
-1em
}
\vspace*
{
-3.0em
}
\includegraphics
[width=1.0\textwidth]
{
../resources/fig/logos/juDFT/JuKKR/jukkr-cropped.png
}
%
\end{column}
\begin{column}
{
0.20
\linewidth
}
\hspace*
{
0em
}
\vspace*
{
-3.0em
}
\includegraphics
[width=1.0\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=1.0\textwidth]
{
../resources/fig/logos/juDFT/SPEX/spex-original.png
}
%
\end{column}
\end{columns}
\end{center}
\vspace*
{
0em
}
\begin{center}
\includegraphics
[width=0.8\textwidth]
{
../resources/fig/external/papers/bosoniHowVerifyPrecision2024/fig4-clip3.pdf
}
%
\end{center}
{
\small
Discrepancy of the equilibrium volume
\(
V
_
0
\)
across popular
DFT codes
\footcite
{
bosoniHowVerifyPrecision2024
}}
\end{column}
\end{columns}
\end{frame}
%%% Local Variables:
%%% mode: latex
%%% TeX-master: "../presentation"
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resources
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480bddecda6f0c754c7d91ef7e00e95642e24af5
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