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arXiv · 2503.04133

The JARVIS Infrastructure is All You Need for Materials Design

Kamal Choudhary
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Abstract

The Joint Automated Repository for Various Integrated Simulations (JARVIS) is a unified platform for multiscale, multimodal, forward, and inverse materials design. It integrates diverse theoretical and experimental approaches, including density functional theory, quantum Monte Carlo, tight-binding, classical force fields, machine learning, microscopy, diffraction, and cryogenics, across a wide range of materials. Emphasizing open access and reproducibility, JARVIS provides datasets, tools, benchmarks, and web applications that are widely adopted by the materials community. By bridging computation and experiment, JARVIS accelerates both fundamental research and real-world materials innovation.

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Kamal Choudhary. 2025-03-06. The JARVIS Infrastructure is All You Need for Materials Design. https://doi.org/10.1016/j.commatsci.2025.114063

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