usnistgov / remi

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Suggest a Notebook addition to REMI #11

Closed knc6 closed 2 years ago

knc6 commented 2 years ago

Your Name

Kamal Choudhary

Your Email

kamal.choudhary@nist.gov

Website for notebook

https://github.com/JARVIS-Materials-Design/jarvis-tools-notebooks

Description

JARVIS-Tools-notebooks Link

A Google-Colab Notebook Collection for Materials Design

Type

Example

Collection - Does this notebook belong to an institutional collection?

JARVIS

If other

No response

Material systems under investigation.

89 elements from the periodic table

Symmetry classes investigated.

All

Material classes

All

Measurement methods

DFT, FF, ML

Functional or structural properties investigated. Please list properties separated by comma.

No response

Platforms used e.g. NanoHub, MaterialsProject, JARVIS, etc.

JARVIS

File formats used

JSON, CSV

Software libraries used

Sklearn, PyTorch, Tensorflow, LightGBM, Wannier90, GPAW, LAMMPS, VASP, Quantum espresso, JARVIS-Tools

Preprocessing methods used

No response

Dimension reduction methods used

No response

Supervised learning methods used

No response

Unsupervised learning methods used

No response

Active learning methods used

No response

knc6 commented 2 years ago

I just saw you have already included some of them in the REMI website: https://pages.nist.gov/remi/