Skip to content

Commit

Permalink
Merge branch 'nris-talks2025' into 'main'
Browse files Browse the repository at this point in the history
Nris talks2025

See merge request documentation/public!983
  • Loading branch information
dhanyapushpadas committed Nov 21, 2024
2 parents 4482b5a + f54f194 commit f806db7
Show file tree
Hide file tree
Showing 3 changed files with 79 additions and 0 deletions.
12 changes: 12 additions & 0 deletions training/events.md
Original file line number Diff line number Diff line change
Expand Up @@ -14,6 +14,18 @@ If you are interested in a re-run of our past courses or if you want to suggest

## Upcoming events

### 2025

```{toctree}
:maxdepth: 1
nris_talks/2025-01-23-nris-talks.md
nris_talks/2025-02-13-nris-talks.md
```

### 2024

```{toctree}
:maxdepth: 1
events/2024-11-intel-training.md
Expand Down
38 changes: 38 additions & 0 deletions training/nris_talks/2025-01-23-nris-talks.md
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.


29 changes: 29 additions & 0 deletions training/nris_talks/2025-02-13-nris-talks.md
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.

0 comments on commit f806db7

Please sign in to comment.