knc6 / gasp-python

Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.

Hi there 👋

Kamal Choudhary is

• a staff scientist at National Institute of Standards and Technology (NIST), MD, USA.
• an ssociate editor of the Journal Nature:NPJ Computational Materials (https://www.nature.com/npjcompumats/editors) and editorial board member of Nature:Scientific Data.
• the CEO and founder of a small business DeepMaterials LLC (https://www.deepmaterials.org/)

My research interests are focused on atomistic materials design using classical, quantum, and machine learning methods. In particular, I have developed JARVIS database and tools (https://jarvis.nist.gov/) that hosts publicly available datasets for millions of material properties.

Contributions to projects:

Name	Description	Details	Conda Package	PyPi Package
usnistgov/jarvis	JARVIS-Tools: An open-source software package for data-driven atomistic materials design	📚	📦	📦
usnistgov/alignn	ALIGNN: Atomistic Line Graph Neural Network and force-field	📚	📦	📦
usnistgov/jarvis_leaderboard	JARVIS-Leaderboard: Explore State-of-the-Art Materials Design Methods and Reproducible Benchmarks	📚	📦	📦
usnistgov/atomgpt	AtomGPT: Atomistic Generative Pretrained Transformer for Forward and Inverse Materials Design	📚
usnistgov/chemnlp	ChemNLP: A Natural Language Processing based Library for Materials Chemistry Text Data	📚	📦	📦
usnistgov/atomvision	AtomVision: Deep learning framework for atomistic image data	📚		📦
usnistgov/atomqc	AtomQC: Atomistic Calculations on Quantum Computers	📚		📦
JARVIS-Materials-Design/jarvis-tools-notebooks	A Google-Colab Notebook Collection for Materials Design	📚
deepmaterials/dlmatreview	Repository for links to software packages and databases used in deep-learning applications for materials science	📚
usnistgov/tb3py	TB3Py: Two- and three-body tight-binding calculations for materials	📚	📦	📦
usnistgov/intermat	InterMat: Interface materials design toolkit	📚	📦	📦
usnistgov/defectmat	DefectMat: Defect materials design toolkit	📚
SciVedanta	A collection of YouTube videos on Vedanta philosophy	📚
eesociety	Encouraging Excellence Society	📚

Here are some links that might interest you:

• NIST page (https://www.nist.gov/people/kamal-choudhary)
• Google Scholar (https://scholar.google.com/citations?user=klhV2BIAAAAJ&hl=en)
• Twitter (https://twitter.com/dr_k_choudhary)
• LinkedIn (https://www.linkedin.com/in/kamal-choudhary-21102818/)
• YouTube (https://www.youtube.com/channel/UClChK_t7kmVx_QMStQH_T9g)
• SlideShare (https://www.slideshare.net/KAMALCHOUDHARY4)
• FigShare (https://figshare.com/authors/Kamal_Choudhary/4445539)
• Orcid (https://orcid.org/0000-0001-9737-8074)
• Instagram (https://www.instagram.com/spicykamal/)