Project ID: plumID:22.016
Name: Homogeneous ice nucleation in an ab initio machine learning model of water
Keywords: ice, water, nucleation, seeding, environment similarity, interfacial free energy, interfaces
PLUMED version: 2.8
Contributor: Pablo Piaggi
Submitted on: 31 Mar 2022
Publication: P. M. Piaggi, J. Weis, A. Z. Panagiotopoulos, P. G. Debenedetti, R. Car, Homogeneous ice nucleation in an ab initio machine-learning model of water. Proceedings of the National Academy of Sciences. 119 (2022)
PLUMED input files
Last tested: 19 Nov 2022, 10:48:43
Project description and instructions
Input files for the software. LAMMPS (15 Apr 2020), DeePMD-kit v1.0.2-1-g6aee326-dirty - source brach: r1.0 - source commit: 6aee326, PLUMED 2.8.0-dev (git: 54560ef-dirty).
[v1] 31 Mar 2022: original submission
Click on the image below and get the code to add the badge to your website!