Skip to content

Commit

Permalink
Update README.rst
Browse files Browse the repository at this point in the history
  • Loading branch information
knc6 authored Dec 24, 2020
1 parent 29409c2 commit c320766
Showing 1 changed file with 7 additions and 7 deletions.
14 changes: 7 additions & 7 deletions README.rst
Original file line number Diff line number Diff line change
Expand Up @@ -40,9 +40,9 @@ JARVIS-Tools: an open-source software package for data-driven atomistic material


NIST-JARVIS (Joint Automated Repository for Various Integrated Simulations) is an integrated framework for computational science using density functional theory,
classical force-field/molecular dynamics and machine-learning. The jarvis-tools package consists of scripts used in generating and analyzing the dataset. The NIST-JARVIS official website is: https://jarvis.nist.gov . This project is a part of the Materials Genome Initiative (MGI) at NIST (https://mgi.nist.gov/).
classical force-field/molecular dynamics and machine-learning. The jarvis-tools package consists of scripts used in generating and analyzing the dataset. The NIST-JARVIS official website is: https://jarvis.nist.gov . This project is a part of the Materials Genome Initiative (MGI) at NIST (https://mgi.nist.gov/).

For more details, checkout our latest article: `The joint automated repository for various integrated simulations (JARVIS) for data-driven materials design <https://www.nature.com/articles/s41524-020-00440-1>`__
For more details, checkout our latest article: `The joint automated repository for various integrated simulations (JARVIS) for data-driven materials design <https://www.nature.com/articles/s41524-020-00440-1>`__ and `YouTube videos <https://www.youtube.com/watch?v=P0ZcHXOC6W0&feature=emb_title&ab_channel=JARVIS-repository>`__

.. image:: https://www.ctcms.nist.gov/~knc6/images/logo/jarvis-mission.png
:target: https://jarvis.nist.gov/
Expand All @@ -55,15 +55,15 @@ Capabilities

- **Several examples**: Notebooks and test scripts to explain the package.

- **Several analysis tools**: Atomic structure, Electronic structure, Spacegroup, Diffraction, 2D materials and other vdW bonded systems, Mechanical, Optoelectronic, Topological, Solar-cell, Thermoelectric, Piezoelectric, Dielectric, STM, Phonon, Dark matter, Wannier tight binding models, Point defects, Heterostructures, Magnetic ordering, Images, Spectrumm etc.
- **Several analysis tools**: Atomic structure, Electronic structure, Spacegroup, Diffraction, 2D materials and other vdW bonded systems, Mechanical, Optoelectronic, Topological, Solar-cell, Thermoelectric, Piezoelectric, Dielectric, STM, Phonon, Dark matter, Wannier tight binding models, Point defects, Heterostructures, Magnetic ordering, Images, Spectrum etc.

- **Database upload and download**: Download JARVIS databases such as JARVIS-DFT, FF, ML, WannierTB, Solar, STM and also external databases such as material project, OQMD, AFLOW etc.
- **Database upload and download**: Download JARVIS databases such as JARVIS-DFT, FF, ML, WannierTB, Solar, STM and also external databases such as Materials project, OQMD, AFLOW etc.

- **Access raw input/output files**: Download input files for JARVIS-databases.
- **Access raw input/output files**: Download input/ouput files for JARVIS-databases to enhance reproducibility.

- **Train machine learning models**: Use different descriptors, graphs and datasets.
- **Train machine learning models**: Use different descriptors, graphs and datasets for training machine learning models.

- **HPC clusters**: PBS and SLURM.
- **HPC clusters**: Torque/PBS and SLURM.

- **Available datasets**: `Summary of several datasets <https://github.com/usnistgov/jarvis/blob/master/DatasetSummary.rst>`__ .

Expand Down

0 comments on commit c320766

Please sign in to comment.