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<center><img src="https://github.com/wgst/ml-gas-surface/blob/main/docs/figures/ml_to_gas_surf.png?raw=true" width="300"></center>
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# ML for gas-surface dynamics
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Instructions and scripts for growing machine learning interatomic potentials (MLIPs) databases through adaptive sampling for gas-surface dynamics.

docs/figures/ml_to_gas_surf.png

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