-
Notifications
You must be signed in to change notification settings - Fork 15
Commit
This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository.
Merge branch 'nris-talks2025' into 'main'
Nris talks2025 See merge request documentation/public!983
- Loading branch information
Showing
3 changed files
with
79 additions
and
0 deletions.
There are no files selected for viewing
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
@@ -0,0 +1,38 @@ | ||
(NRIS Talks: Introduction to VASP)= | ||
|
||
# NRIS Talks : Webinar on Introduction to VASP and how to run VASP calculation NRIS Clusters | ||
|
||
NRIS(Norwegian Research Infrastructure Services) is organising webinars as part of it's outreach program **NRIS Talks**. | ||
This time, we will explore how to effectively utilize the Vienna Ab-initio Simulation Package (VASP) on supercomputers. This workshop is primarily designed for beginners and intermediate users at various levels, with an emphasis on best practices for conducting VASP calculations on NRIS clusters. This webinar content is based on the VASP best practices workshop materials developed by ENCCS and NSC. | ||
|
||
## Webinar Details | ||
|
||
- **Date:** 23rd January 2025 | ||
- **Time:** 13:00 - 14:00 | ||
- **Duration:** 60 minutes | ||
- **Platform:** Zoom webinar | ||
- **Speaker:** [Daniel Marchand](https://www.sintef.no/alle-ansatte/ansatt/daniel.marchand/) | ||
- **Moderator:** [Dhanya Pushpadas](https://www.uib.no/en/persons/Dhanya.Pushpadas) | ||
|
||
## How to Register: | ||
|
||
**Register [here](https://uib.zoom.us/webinar/register/WN_SFFfpEHqQySCKTjPCQFa0w)** | ||
|
||
## About the webinar | ||
|
||
The webinar will cover: | ||
|
||
- General introduction to VASP, essential files and parameters, workflow | ||
- Runniing VASP on HPCs | ||
- Demo on NRIS Cluster Saga | ||
- Q&A | ||
- Webiinar content is based on the [lesson material](https://enccs.github.io/vasp-best-practices/) developed by and NSC. | ||
## Who Should Attend | ||
|
||
This workshop is mostly suitable for beginners and intermediate users of VASP at different stages. It is useful but not necessary to have basic knowledge of electronic structure theory and/or DFT. | ||
|
||
## Acknowledgement | ||
|
||
We thank the ENCCS and NSC for the [VASP best practices workshop material](https://enccs.github.io/vasp-best-practices/) and agreeing to reuse it for this webinar. | ||
|
||
|
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
@@ -0,0 +1,29 @@ | ||
# NRIS Talks: Webinar on how to train machine learning models on VASP | ||
|
||
NRIS(Norwegian Research Infrastructure Services) is organising webinars as part of it's outreach program **NRIS Talks**. | ||
This is a follow up of the previous one {ref}`NRIS Talks: Introduction to VASP`.In this webinar we will give an introduction | ||
to machine learning potentials on VASP. We will give guidance on when to use them and how to develop them properly. A tutorial for fine tuning a foundation model (MACE) will be given, along with caveats on validation and accuracy. | ||
|
||
## Webinar Details: | ||
|
||
- **Date:** 23rd January 2025 | ||
- **Time:** 13:00 - 14:00 | ||
- **Duration:** 60 minutes | ||
- **Platform:** Zoom webinar | ||
- **Speaker:** [Daniel Marchand](https://www.sintef.no/alle-ansatte/ansatt/daniel.marchand/) | ||
- **Moderator:** [Dhanya Pushpadas](https://www.uib.no/en/persons/Dhanya.Pushpadas) | ||
|
||
## How to Register: | ||
Register [here](https://uib.zoom.us/webinar/register/WN_1a2cQ0hnRJC6IxUQ_cy09g#/registration) | ||
|
||
## About the webinar | ||
|
||
The webinar will cover: | ||
|
||
- Machine learning potentials and their validation | ||
- How to fine-tune foundation models hands on example for MACE | ||
- Q&A | ||
|
||
## Who Should Attend | ||
|
||
This workshop is mostly suitable for VASP users at different levels and curious to know about the machine learning potentiials on VASP. |