Added videos for days 3 and 4

compchem-cybertraining · Jul 12, 2024 · 4d5a509 · 4d5a509
1 parent 3dada06
commit 4d5a509
Show file tree

Hide file tree

Showing 4 changed files with 58 additions and 36 deletions.
diff --git a/_episodes/03-vista-qtag-xf.md b/_episodes/03-vista-qtag-xf.md
@@ -67,7 +67,12 @@ Links:
 
 # 3. Videorecordings
 
-## 3.1. Morning session
+## 3.1. UB recording:
+
+<iframe src="https://ub.hosted.panopto.com/Panopto/Pages/Embed.aspx?id=49fb8e79-7d4a-4fcf-a951-b18f01178a09
+&autoplay=false&offerviewer=true&showtitle=true&showbrand=true&captions=false&interactivity=all" height="405" width="720" 
+style="border: 1px solid #464646;" allowfullscreen allow="autoplay" aria-label="Panopto Embedded Video Player" 
+aria-description="Libra Workshop and Summer School on Excited States and Nonadiabatic Dynamics 2024, Day 3" ></iframe>
 
 ## 3.2. Zoom recordings:
 
@@ -77,3 +82,10 @@ style="border: 1px solid #464646;" allowfullscreen allow="autoplay" aria-label="
 aria-description="Libra Workshop and Summer School, Day 3, Part 1" ></iframe>
 
 
+<iframe src="https://ub.hosted.panopto.com/Panopto/Pages/Embed.aspx?id=186bc5f0-af05-445f-aaa0-b1a9016cd097
+&autoplay=false&offerviewer=true&showtitle=true&showbrand=true&captions=false&interactivity=all" height="405" width="720" 
+style="border: 1px solid #464646;" allowfullscreen allow="autoplay" aria-label="Panopto Embedded Video Player" 
+aria-description="Libra Workshop and Summer School, Day 3, Part 2" ></iframe>
+
+
+
diff --git a/_episodes/04-atomistic-namd.md b/_episodes/04-atomistic-namd.md
@@ -10,71 +10,67 @@ title: "4. Day 4: NBRA-NA-MD workflow for atomistic systems"
 
 # 2. TSH for atomistic systems (NBRA NA-MD workflow)
 
-## 2.1. Overview of the atomistic NA-MD calculations workflow with Libra. Lecture (30 min)
+## 2.1. NA-MD calculations for atomistic system: the overview and NA-MD dynamics (step 4)
 
-[Slides](../files/Alexey_Akimov/July11-morning-NBRA.pdf)
-
-Links:
-
-* Complete the tutorial: [9_step4](https://github.com/compchem-cybertraining/Tutorials_Libra/blob/master/6_dynamics/2_nbra_workflows/9_step4/tutorial.ipynb)
+Plan:
 
+- Overview of the atomistic NA-MD calculations workflow with Libra. Lecture
 
-## 2.2. Conducting electronic structure calculation with CP2K. Demo and Hands on. (60 min)
+- NBRA NA-MD workflow with Libra/CP2K interface. Step 4: the dynamics.
 
-[Slides]()
+[Slides](../files/Alexey_Akimov/July11-morning-NBRA.pdf)
 
 Links:
 
-## 2.3. NBRA NA-MD workflow with Libra/CP2K interface (steps 2 and 3) with DFT and xTB. Demo and Hands on (90 min)
+* Complete the tutorial: [9_step4](https://github.com/compchem-cybertraining/Tutorials_Libra/blob/master/6_dynamics/2_nbra_workflows/9_step4/tutorial.ipynb)
 
-[Slides]()
 
-Links:
+## 2.2. NBRA workflow: computing couplings and energies
 
-## 2.4. NBRA NA-MD workflow with Libra/CP2K interface. Step 4: the dynamics. Demo and Hands on (60 min)
+Plan:
 
-[Slides]()
+- Conducting electronic structure calculation with CP2K. Demo and Hands on.
 
-Links:
+- NBRA NA-MD workflow with Libra/CP2K interface (steps 2 and 3) with DFT and xTB. Demo and Hands on
 
-* Complete this tutorial: [14_many_recipes](https://github.com/compchem-cybertraining/Tutorials_Libra/tree/master/6_dynamics/2_nbra_workflows/14_many_recipes)
+- Step 4 repeated: many recipes
 
-* Tasks:
+- Analyzing the dynamics results and computing the timescales. Demo and Hands on
 
-  - compute relaxation and recombination dynamics for your system using various NBRA-based NA-MD approaches
+- Known pitfalls: selecting the active space
 
-
-## 2.5. Analyzing the dynamics results and computing the timescales. Demo and Hands on (60 min)
-
-[Slides]()
+[Slides](../files/Mohammad_Shakiba/July11-nbra.pdf)
 
 Links:
 
 
-## 2.6. NAC-free approach: Belyaev-Lebedev Landau-Zener (BLLZ) (30 min)
-
-[Slides]()
-
-Links:
-
-* Complete this tutorial: [15_step4_bllz](https://github.com/compchem-cybertraining/Tutorials_Libra/tree/master/6_dynamics/2_nbra_workflows/15_step4_bllz)
+* Complete this tutorial: [14_many_recipes](https://github.com/compchem-cybertraining/Tutorials_Libra/tree/master/6_dynamics/2_nbra_workflows/14_many_recipes)
 
 * Tasks:
 
-  - compute the relaxation/recombination dynamics for your system using BLLZ workflow
+  - compute relaxation and recombination dynamics for your system using various NBRA-based NA-MD approaches
 
 
-## 2.7. Known pitfalls. Lecture and discussion. (30 min)
 
-[Slides]()
+# 3. Videorecordings
 
-Links:
+## 3.1. UB recording:
 
+<iframe src="https://ub.hosted.panopto.com/Panopto/Pages/Embed.aspx?id=427968c4-d661-46f3-8a78-b18f01178aa0
+&autoplay=false&offerviewer=true&showtitle=true&showbrand=true&captions=false&interactivity=all" height="405" width="720" 
+style="border: 1px solid #464646;" allowfullscreen allow="autoplay" aria-label="Panopto Embedded Video Player" 
+aria-description="Libra Workshop and Summer School on Excited States and Nonadiabatic Dynamics 2024, Day 4" ></iframe>
 
+## 3.2. Zoom recordings:
 
-# 3. Videorecordings
+<iframe src="https://ub.hosted.panopto.com/Panopto/Pages/Embed.aspx?id=ee9fc62b-dc12-4c37-a880-b1aa013679ec
+&autoplay=false&offerviewer=true&showtitle=true&showbrand=true&captions=false&interactivity=all" height="405" width="720" 
+style="border: 1px solid #464646;" allowfullscreen allow="autoplay" aria-label="Panopto Embedded Video Player" 
+aria-description="Libra Workshop and Summer School, Day 4, Part 1" ></iframe>
 
-## 3.1. Morning session
 
-## 3.2. Afternoon session
+<iframe src="https://ub.hosted.panopto.com/Panopto/Pages/Embed.aspx?id=94067b51-49ed-4082-8ef5-b1aa0179225d
+&autoplay=false&offerviewer=true&showtitle=true&showbrand=true&captions=false&interactivity=all" height="405" width="720" 
+style="border: 1px solid #464646;" allowfullscreen allow="autoplay" aria-label="Panopto Embedded Video Player" 
+aria-description="Libra Workshop and Summer School, Day 4, Part 2" ></iframe>
 
diff --git a/_episodes/05-ml-namd.md b/_episodes/05-ml-namd.md
@@ -31,6 +31,20 @@ Links:
 ## 2.4. The KSHM workflow for NA-MD of materials. Demo and Hands on (60 min)
 
 
+## 2.6. NAC-free approach: Belyaev-Lebedev Landau-Zener (BLLZ) (30 min)
+
+[Slides]()
+
+Links:
+
+* Complete this tutorial: [15_step4_bllz](https://github.com/compchem-cybertraining/Tutorials_Libra/tree/master/6_dynamics/2_nbra_workflows/15_step4_bllz)
+
+* Tasks:
+
+  - compute the relaxation/recombination dynamics for your system using BLLZ workflow
+
+
+
 # 3. Videorecordings
 
 ## 3.1. Morning session

diff --git a/files/Mohammad_Shakiba/July11-nbra.pdf b/files/Mohammad_Shakiba/July11-nbra.pdf