Project ID: plumID:20.019
Name: Systematic finite-temperature reduction of crystal energy landscapes
Archive: https://github.com/mme-ucl/plumed-nest-data/raw/master/Crystal-Energy-Landscapes.zip
Category: materials
Keywords: crystals, organics, structure prediction
PLUMED version: 2.3-mod
Contributor: Matteo Salvalaglio
Submitted on: 02 Jul 2020
Last revised: 05 Oct 2020
Publication: N. F. Francia, L. S. Price, J. Nyman, S. L. Price, M. Salvalaglio, Systematic Finite-Temperature Reduction of Crystal Energy Landscapes. Crystal Growth & Design. 20, 6847–6862 (2020)
PLUMED input files
| File | Compatible with |
|---|---|
| Crystal-Energy-Landscapes/plumed.dat |    |
Last tested: 22 Apr 2024, 20:52:53
Project description and instructions
PLUMED files used to generate distributions and to perform metadynamics simulations in the context of the workflow discussed in the paper Systematic finite-temperature reduction of crystal energy landscapes by N. Francia et al.
Submission history
[v1] 02 Jul 2020: original submission
[v2] 05 Oct 2020: updated doi
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