n2p2

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This repo contains data and scripts for MLIPs for borophene on silver

active-learning n2p2 mlip borophene deppmd nnmp reactive-mlip

Interface for on-the-fly training of Machine Learning Interaction Potentials

machine-learning simulation physics vasp lammps materials-science n2p2

Package used in my master thesis to analyze the behaviour of H3O and OH ions in water, with a focus on the recombination process.

ions water md n2p2

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