JARVIS (Joint Automated Repository for Various Integrated Simulations) is a repository designed to automate materials discovery and optimization using classical force-field, density functional theory, machine learning calculations and experiments. Access to the database and web-apps requires a user-credential. User-registration is free, click on the Login/Sign Up button above. Find more details about JARVIS in the article: https://www.nature.com/articles/s41524-020-00440-1
Websites
NIST-JARVIS Resources
| Resource | Summary | Website |
|---|---|---|
| Homepage | Description and API | Link |
| DFT | Density functional theory data | Link |
| FF | Evaluation of classical force field | Link |
| ML | Machine learning models | Link |
| Tools | Scripts for running simulations | Link |
| Downloads | Downloadable metadata | Link |
| Notebooks | Jupyter/Google-Colab notebooks | Link |
| Heterostructure | 2D heterostructure properties | Link |
| STM | STM images for 2D materials | Link |
| WannierTB | Wannier tight binding models | Link |
| BeyondDFT | High-level ab-initio methods | Link |
| Publications | JARVIS-related publications | Link |
| Tools docs | Documentation | Link |
| Tools pypi | Pypi repository of tools | Link |
| Workshops | JARVIS-related workshops | Link |
| SlideShare | Collection of presentation slides | Link |
Statistics
JARVIS-FF materials (2538)
JARVIS-DFT materials (55286)
JARVIS-ML (1429605)
OptB88vdW bandgaps and formation energies (55286)
TBmBJ bandgaps (17094)
Elastic Tensors (17402)
Topological SOC spillage (11383)
Infrared intensities (4801)
Dielectric function (15860)
2D exfoliation energy (812)
Carrier effective mass (17642)
Piezoelectric tensors (4801)
Seebeck coeff. (23210)
Electric field gradient (11865)
Solar-SLME (8614)
JARVIS-WannierTB (1771)
JARVIS-STM (1432)
JARVIS-Hetero (226778)
Founder and developer: Dr. Kamal Choudhary
Contributors: (Drs.) Francesca Tavazza, Kevin F. Garrity, Andrew C. E. Reid, Brian DeCost, Adam J. Biacchi, Angela R. Hight Walker, Zachary Trautt, Jason Hattrick-Simpers, A. Gilad Kusne, Andrea Centrone, Albert Davydov, Jie Jiang, Ruth Pachter, Gowoon Cheon, Evan Reed, Ankit Agarwa, Xiaofeng Qian, Vinit Sharma, Houlong Zhuang, Sergei Kalinin, Ghanshyam Pilania, Pinar Acar, Subhasish Mandal, Kristjan Haule, David Vanderbilt, Karin Rabe.
