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<strong>Welcome to ES Lab Wiki</strong>
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<!--|style="font-size:95%;text-align:left;white-space:nowrap;color:#000"| [[About|Wiki goals]]
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! <h2 style="margin:0;background-color:#ffff00;font-size:120%;font-weight:bold;border:1px solid #ffffff;text-align:left;color:#000;padding:0.2em 0.4em;">About ES lab</h2>
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|style="color:#000"|Our group conducts research on .....  ]


*[[topics|topics]]
== Code Development ==


* [[Numerical HF video]]


Our research is supported by DOE
* [[Code working status]]


|-
* [[Embedding SIC into density functional calculations for large-scale SIC calculations -Dr.Chang (UTEP)]]
! <h2 style="margin:0;background:#ffff00;font-size:120%;font-weight:bold;border:1px solid #ffffff;text-align:left;color:#000;padding:0.2em 0.4em;">Research Highlights</h2>
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|style="color:#000"|{{POD}}
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== Tutorials ==
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* [https://quantum.utep.edu/wiki/index.php?title=Basis_set_conversion_for_NRLMOL&action=edit&redlink=1 Usage of basis converter for NRLMOL]
{| width="100%" cellpadding="2" cellspacing="5" style="vertical-align:top;background-color:#f5faff"
 
! <h2 style="margin:0;background-color:#cedff2;font-size:120%;font-weight:bold;border:1px solid #a3b0bf;text-align:left;color:#000;padding:0.2em 0.4em;">News</h2>
* [[How to install Libnxc]]
|-
 
|style="color:#000"|{{News:}}
* [https://quantum.utep.edu/wiki/index.php?title=ECP_for_higer_functions_(f_and_g)_on_implicit_none_blockmesh Usage of ECP on blockmesh code]
|-
 
! <h2 style="margin:0;background:#cedff2;font-size:120%;font-weight:bold;border:1px solid #a3b0bf;text-align:left;color:#000;padding:0.2em 0.4em;">Recently Completed Projects</h2>
* [https://quantum.utep.edu/wiki/index.php?title=Magnetic_Anisotropy_Calculation Magnetic Anisotropy Calculation]
|-
 
|style="color:#000"|{{Recently Completed Projects:}}
* [[Plotting density of states]]
|-
 
* [[Tutorial: how to run vibrational calculation]]
 
* [[requesting TACC allocation]]
 
* [[Git instructions]]


|}
* [[cp2k]]
|}


== FLOSIC seminar talks ==


* Here we will add past seminar talks


<strong>MediaWiki has been installed.</strong>


Consult the [https://www.mediawiki.org/wiki/Special:MyLanguage/Help:Contents User's Guide] for information on using the wiki software.
https://www.youtube.com/watch?v=bcYta8eS8rQ : Embedding SIC into density functional calculations for large-scale SIC calculations -Dr.Chang (UTEP)
 
https://www.youtube.com/watch?v=8J_Yba4Atj4 : Walkthrough of FLOSIC code in NERSC Perlmutter-Selim (UTEP) 
 
https://www.youtube.com/watch?v=n_sPJNcpErI : Updating FLOSIC's Documentation with Sphinx: A User-Friendly tool for Documentation Generation-Angel.
 
https://www.youtube.com/watch?v=PCxEousSqyM : Applications of Many-Body Methods: A Synopsis of My Projects-Yashpal (CMU)
 
https://www.youtube.com/watch?v=kumwndjoGN0 : Energetics of Transition Metal Molecules - Rohan (Temple)
https://youtu.be/qKCpP_48gv0 : New features and changes in NRLMOL code


== Getting started ==
https://youtu.be/RsrYCYsQ7f8 : Self-Interaction Correction for Solvated Anions
* [https://www.mediawiki.org/wiki/Special:MyLanguage/Manual:Configuration_settings Configuration settings list]
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== Project page shortcuts ==
https://youtu.be/FFTMa0qP2xU : Strong correlation in molecular dimers


* [https://quantum.utep.edu/wiki/index.php?title=Test_project Test page]
https://youtu.be/bcYta8eS8rQ : Embedding SIC into density functional calculations for large-scale SIC calculations


* [https://quantum.utep.edu/wiki/index.php?title=Magnetic_Anisotropy_Calculation Magnetic Anisotropy Calculation]
https://youtu.be/Qx9cQunPi78 : How do you not lose your mind with FLOSIC transition metal applications?


* [https://quantum.utep.edu/wiki/index.php?title=Local_SIC LSIC]
== Projects ==


* [https://quantum.utep.edu/wiki/index.php?title=Basis_set_conversion_for_NRLMOL&action=edit&redlink=1 Usage of basis converter for NRLMOL]
* [https://quantum.utep.edu/wiki/index.php?title=Local_SIC LSIC] (This page is visible publically)


* [https://quantum.utep.edu/wiki/index.php?title=Selective_orbital_scaling_self-interaction_correction_(SOSIC) Selectively orbital scaling self-interaction correction (SOSIC)]
* [https://quantum.utep.edu/wiki/index.php?title=Selective_orbital_scaling_self-interaction_correction_(SOSIC) Selectively orbital scaling self-interaction correction (SOSIC)]


* [[How to install Libnxc]]
== Wiki Test page ==
 
* [https://quantum.utep.edu/wiki/index.php?title=Test_project Test page]
 
<strong>This wiki is powered by MediaWiki</strong>
 
Consult the [https://www.mediawiki.org/wiki/Special:MyLanguage/Help:Contents User's Guide] for information on using the wiki software.
 
== MediaWiki Getting started ==
* [https://www.mediawiki.org/wiki/Special:MyLanguage/Manual:Configuration_settings Configuration settings list]
* [https://www.mediawiki.org/wiki/Special:MyLanguage/Manual:FAQ MediaWiki FAQ]
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Latest revision as of 19:54, 2 May 2025

Welcome to ES Lab Wiki



Code Development

Tutorials

FLOSIC seminar talks

  • Here we will add past seminar talks


https://www.youtube.com/watch?v=bcYta8eS8rQ : Embedding SIC into density functional calculations for large-scale SIC calculations -Dr.Chang (UTEP)

https://www.youtube.com/watch?v=8J_Yba4Atj4 : Walkthrough of FLOSIC code in NERSC Perlmutter-Selim (UTEP)

https://www.youtube.com/watch?v=n_sPJNcpErI : Updating FLOSIC's Documentation with Sphinx: A User-Friendly tool for Documentation Generation-Angel.

https://www.youtube.com/watch?v=PCxEousSqyM : Applications of Many-Body Methods: A Synopsis of My Projects-Yashpal (CMU)

https://www.youtube.com/watch?v=kumwndjoGN0 : Energetics of Transition Metal Molecules - Rohan (Temple)

https://youtu.be/qKCpP_48gv0 : New features and changes in NRLMOL code

https://youtu.be/RsrYCYsQ7f8 : Self-Interaction Correction for Solvated Anions

https://youtu.be/FFTMa0qP2xU : Strong correlation in molecular dimers

https://youtu.be/bcYta8eS8rQ : Embedding SIC into density functional calculations for large-scale SIC calculations

https://youtu.be/Qx9cQunPi78 : How do you not lose your mind with FLOSIC transition metal applications?

Projects

  • LSIC (This page is visible publically)

Wiki Test page

This wiki is powered by MediaWiki

Consult the User's Guide for information on using the wiki software.

MediaWiki Getting started

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