.. exa-AMD documentation master file, on Tue May 13 19:41:57 2025.

Overview
========

.. figure:: images/CeFeIn_prediction.png
   :align: center

   Prediction of new CeFeIn compounds with **exa-AMD** 

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**exa-AMD** is a Python framework designed to accelerate the discovery and design of functional materials. The framework uses Parsl to build customizable and automated workflows that connect AI/ML tools, material databases, quantum mechanical calculations, and state-of-the-art computational methods for novel structure prediction. exa-AMD was designed to scale up on high-performance computing systems including supercomputers equipped with accelerators, such as the Nvidia and AMD GPUs.

.. toctree::
   quickstart
   tutorial
   api 
   team
   :maxdepth: 2
   :caption: Contents: