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README.md
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**"Harnessing Structural Disorder: Unraveling Hydrogen Evolution in Monolayer Amorphous Carbon via
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First-Principles Simulations and Machine-Learned Potentials"**
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Sreehari M S, Ashutosh Krishna Amaram, Raghavan Ranganathan — Department of Materials Engineering,
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IIT Gandhinagar
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## Model Description
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A MACE machine-learning interatomic potential, naively fine-tuned from the MACE-MATPES-PBE0
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**"Harnessing Structural Disorder: Unraveling Hydrogen Evolution in Monolayer Amorphous Carbon via
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First-Principles Simulations and Machine-Learned Potentials"**
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Sreehari M S, Ashutosh Krishna Amaram, Raghavan Ranganathan — Department of Materials Engineering,
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IIT Gandhinagar. [arXiv:2605.07670](https://arxiv.org/abs/2605.07670)
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## Model Description
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A MACE machine-learning interatomic potential, naively fine-tuned from the MACE-MATPES-PBE0
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