MLP-for-2D-ices

This repository contains supplementary data supporting results of the paper:

"Rich proton dynamics and phase behaviours of nanoconfined ices"

Jian Jiang, Yurui Gao, Lei Li, Yuan Liu, Weiduo Zhu, Chongqin Zhu, Joseph S. Francisco, Xiao Cheng Zeng

License

Licensed under the Apache License, Version 2.0 (the "License"); you may not use this file except in compliance with the License. You may obtain a copy of the License at http://www.apache.org/licenses/LICENSE-2.0
See the file LICENSE for details.

Contents

• Atomic Structures: This directory contains the atomic structures of main 2D ices in LAMMPS data format.

• MLP:
  Machine learning potential model used in PIMD simulations to produce the results in this work.