n2p2

Here are 4 public repositories matching this topic...

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

Machine-learning interatomic potentials (HDNNP/n2p2) for Si/graphene interfaces, graphene and bulk Si.

dft neural-network interface vasp graphene silicon acsf hdnnp n2p2 mlip

To associate your repository with the n2p2 topic, visit your repo's landing page and select "manage topics."