A phonon irreducible representations calculator
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Updated
Apr 11, 2024 - Mathematica
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phonon-calculation
Here are 6 public repositories matching this topic...
A simple walkthrough and template for NEB runs on VASP.
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Jan 28, 2022 - Shell
Vizualisation of Atomic Contributions to Phonon Modes
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Nov 6, 2024 - Python
Automatic Differentiation of Interatomic Potentials with Phonons in Julia: ADIP².jl
phonons
materials-science
lattice-dynamics
phonon-calculation
vibrational-analysis
interatomic-potentials
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Aug 25, 2021 - Julia
This repository contains the LAMMPS and python scripts created from the ground-up, along with the most important data, to conduct a thorough analysis of the Thermal Rectification (TR) in semi-stochastically generated atomistic models of polycrystalline graphene with graded grain size variation - using Molecular Dynamics & mapping of phonon modes.
python
molecular-dynamics
graphene
thermal-conductivity
data-analysis
rectification
polycrystal
voronoi-tessellation
phonon-calculation
simulations-physics
atomistic-modelling
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Dec 27, 2023 - Python
❄️ Phonon spectrum of graphene and a new quasi-two-dimensional structure in LAMMPS
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Updated
Jun 23, 2022
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