Project ID: plumID:23.004
Name: Melting curves of ice polymorphs in the vicinity of the liquid-liquid critical point
Archive: https://github.com/PabloPiaggi/mishima-melting-lines-2023/archive/refs/heads/main.zip
Category: chemistry
Keywords: water, liquid-liquid transition, second critical point, ice, polymorphs, melting curves, environment similarity, opes, density-functional theory, scan, machine learning potential
PLUMED version: 2.8
Contributor: Pablo Piaggi
Submitted on: 11 Feb 2023
Publication: P. M. Piaggi, T. E. Gartner, R. Car, P. G. Debenedetti, Melting curves of ice polymorphs in the vicinity of the liquid–liquid critical point. The Journal of Chemical Physics. 159 (2023)
PLUMED input files
Last tested: 22 Apr 2024, 20:45:54
Project description and instructions
Simulations were performed using the following codes. LAMMPS (15 Apr 2020), DeePMD-kit v1.0.2-1-g6aee326-dirty - source branch r1.0 - source commit 6aee326, PLUMED 2.8.0-dev (git 54560ef-dirty)
Submission history
[v1] 11 Feb 2023: original submission
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