phonon-calculation

There are 0 repository under phonon-calculation topic.

• zhangzeyingvv / PhononIrep

  A phonon irreducible representations calculator

  condensed-matter-physicsgroup-theoryirrepsmathematicaphonon-calculationpythonphonopy
  Language:Mathematica 13

• drinwater / Nudged-Elastic-Band-Tutorial

  A simple walkthrough and template for NEB runs on VASP.

  vasp-calculationsvaspnudged-elastic-bandvibrational-analysisphonon-calculation
  Language:Shell 10

• JaGeo / AtomicContributions

  Vizualisation of Atomic Contributions to Phonon Modes

  phonon-calculationphonon-modesvibrationssolids
  Language:Python 9

• JuliaMatSci / ADIP2.jl

  Automatic Differentiation of Interatomic Potentials with Phonons in Julia: ADIP².jl

  interatomic-potentialslattice-dynamicsmaterials-sciencephonon-calculationphononsvibrational-analysis
  Language:Julia 4

• simantalahkar / poly-tr-mechanism

  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.

  atomistic-modellingdata-analysisgraphenemolecular-dynamicsphonon-calculationpolycrystalpythonrectificationsimulations-physicsthermal-conductivityvoronoi-tessellation
  Language:Python 2

• genchik1 / Phonon-spectrum-of-graphene-in-Lammps

  :snowflake: Phonon spectrum of graphene and a new quasi-two-dimensional structure in LAMMPS

  graphenelammpsphonon-calculationvmd
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