Published July 18, 2022 | Version v1

DeepPDB: An Open-Source Automated Framework to Enable High-Fidelity Atomistic Simulations in Unexplored Material Space

Authors/Creators

  • 1. University of Pittsburgh

Description

The objective is to develop atomistic potentials systematically and efficiently for a variety of materials science applications.  We aim to make these potentials and training datasets freely available to the scientific community.

Notes

This work is supported by National Science Foundation, Award No. CSSI-2003808

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20220718_CSSI_Saidi_group_v3.pdf

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