RongkunChen

RongkunChen's Stars

• kavanase/vaspup2.0

  VASP Convergence Testing (for Energy & Dielectric Constants)

  Language:Shell544313

• romanodev/OpenBTE

  Phonon Boltzmann Transport Equation

  Language:Python39129

• AdityaRoy-1996/Phonopy_VESTA

  Export Eigenvectors from Phonopy format to VESTA

  Language:Python381616

• tfrederiksen/inelastica

  Python package for eigenchannels, vibrations and inelastic electron transport based on SIESTA/TranSIESTA DFT

  Language:Python3593616

• Baijianlu/mDCThermalC

  A software to calculate thermal conductivity quickly and accurately

  Language:Python341222

• Tingliangstu/pySED

  To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.

  Language:sed30204

• Andrew-S-Rosen/mof_screen

  High-throughput DFT of MOFs using ASE/VASP

  Language:Python272811

• ZhongweiZhangsite/WPPT

  Wavelike and Particlelike Phonon Transport (WPPT) Solver

  Language:C++26312

• brucefan1983/AGF-phonon-transport

  A 200-line Matlab implementation of the Atomistic Green's function (AGF) method for phonon transport

  Language:MATLAB25304

• bitsoal/VASP_HTC_framework

  High-throughput calculation framework for VASP

  Language:Python24326

• QijingZheng/VASP_XDATCAR

  A python class for parsing VASP XDATCAR from molecular dynamics

  Language:Python242219

• Stanford-MCTG/VASP-plot-modes

  Code to convert DFPT modes in OUTCAR files to VESTA images

  Language:Python23229

• Tingliangstu/PPR-Phonon-Participation-Ratio

  Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and delocalization.

  Language:MATLAB21209

• TnakaTnakaTnaka/PHNEGF

  Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory

  Language:Python20227

• Chengcheng-Xiao/VASP_LOL

  VASP - Localized Orbital Locator + Electron Localizability Indicator

  17217

• xinming365/Postprocessing-for-alamode

  Postprocess the phonon spectra, phonon dos, atomic participation rate, mean square displacement, scattering rate, and energy cumulative and differential lattice thermal conductivity.

  Language:Python11105

• JaGeo/AtomicContributions

  Vizualisation of Atomic Contributions to Phonon Modes

  Language:Python10107

• syang-creater/extract-thirdorder-forceconstant

  extract third order force constants from TDEP output

  Language:Python8101

• TnakaTnakaTnaka/TEP_tools

  Python scripts to calculate thermoelectric properties by using NEGF method in OpenMX code (http://www.openmx-square.org/).

  Language:Python8013

• taishanzhu/mesoBTE

  Monte Carlo Solution of Phonons and Electrons for thermoelectrics

  Language:Python78011

• sampad95/ShengBTE_data-plotting_code

  Language:Jupyter Notebook5201

• tgzhou98/NEGF-GW

  non-equilibrium green function using GW approximation

  Language:Jupyter Notebook5000

• min-cheol-lee/Debye_model_specific_heat

  Here a code is provided for fitting temperature-dependent specific data to the Debye model, to extract phonon contribution to the specific heat of a solid material.

  Language:Jupyter Notebook4100

• rileyhanus/Phonon-scattering-and-transport-in-polycyrstals

  Mathematica scripts that implement the phonon scattering and transport theory presented in "Phonon diffraction and dimensionality crossover in phonon-interface scattering" by Hanus, Garg, and Snyder (2018).

  Language:Mathematica3100

• bradenkatzman/WavePacketDynamics-research-SJSU-MSU

  Exploring Wave Packet Molecular Dynamics

  Language:MATLAB20

• PramitBarua/NEGF

  Language:Python210

• Tingliangstu/phonon-transmission

  Harmonic phonon transmission calculations from molecular dynamics trajectories

  Language:Python2001

• CaiCheng-sicnu/ollehellman.github.io

  The documentation site for TDEP.

  Language:HTML1100

• CaiCheng-sicnu/TDEP_copy

  Working copy of TDEP software

  1100

• shahramyalameha/Phonopy-Spectroscopy

  A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.

  Language:Python1000