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Published August 15, 2022 | Version v0.1
Dataset Open

Molecular simulations and machine learning potentials for graphene on liquid copper

Creators

  • 1. Fritz Haber Institute
  • 2. TUM

Description

Dataset for the paper "Graphene at Liquid Copper Catalysts: Atomic-Scale Agreement of Experimental and First-Principles Adsorption Height". (DOI: 10.26434/chemrxiv-2022-99gfv)

 

dataset/: Training and test sets for MTP

md/: Initial atomic models of the Gr-Cu interface

 

The full dataset will be uploaded after the publication of the paper.

 

Files

Files (1.4 MB)

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md5:8a385d697dc4de98aa2cf8f592ebeb32
1.4 MB Download

Additional details

Related works

Is supplement to
Preprint: 10.26434/chemrxiv-2022-99gfv (DOI)