RongkunChen

RongkunChen's Stars

• nanotheorygroup/kaldo

  Anharmonic Lattice Dynamics

  Language:Python125152624

• zjwang11/IRVSP

  IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10.1016/j.cpc.2020.107760.

  Language:Makefile108101038

• QijingZheng/Hefei-NAMD

  ab-initio nonadiabatic molecular dynamics program

  Language:Fortran9911652

• SSCHAcode/python-sscha

  The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).

  Language:Jupyter Notebook5777421

• JMSkelton/ModeMap

  A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.

  Language:Fortran386123

• cnncnnzh/topoPhonon

  topoPhonon package is a python package that allows users to calculate topological properties (berry phase, berry curvature, wannier charge center evolution...), by building phonon tight binding model.

  Language:Python22301

• gabkrenzer/vaspMD

  A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD) and Machine Learning Force Field Moelcular Dynamics (MLFF-MD) calculations using VASP, and post-processing tools. Scripts and files are designed to be easily modified to suit your own objectives.

  Language:Jupyter Notebook19204

• RuiyangLi6/PINN-pBTE

  Physics-Informed Neural Networks for Solving Multiscale Mode-Resolved Phonon Boltzmann Transport Equation

  Language:Python18205

• GkAntonius/ElectronPhononCoupling

  Post-processing of electron-phonon coupling calculations from Abinit

  Language:Python169

• WeibinChu/Hefei-NAMD-DEV

  Hefei-NAMD is an ab initio non-adiabatic molecular dynamics program based on time-dependent density-functional theory and surface hopping methods to investigate ultrafast dynamics of excited carriers and their coupling to other quasiparticles in real and momentum space, energy and time scale.

  Language:Fortran16107

• ariahosseini/InterfacePhononsToolkit

  Interfacial heat conductance

  Language:Jupyter Notebook12113

• KeivanS/Anharmonic-lattice-dynamics

  Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properties based on BTE (THERMACOND), and the thermal equilibrium state using SCP theory (SCOP8)

  Language:Fortran9403

• LunghiGroup/MolForge

  A multipurpose Fortran2003+MPI suite of codes for the simulation of spin dynamics at the atomistic level. The code is developed to readily interface with first-principles codes.

  Language:Fortran91131

• NU-CEM/phonons_tutorial

  Ab-initio phonons tutorial for TDEP 2023 at Linkoping

  Language:Shell9101

• Akou-stack/phonon-thermal-transport

  This repository contains 'sample' LAMMPS input scripts for molecular dynamics thermal conductivity simulation and phonon mode analysis, various python post processing scripts, and other other key files, including initial atomistic model of stochastically created polycrystalline graphene, that work as input for the different scripts.

  Language:Python81

• arpank-2380/PyEPFD

  Python library for computing electron-phonon renormalizations from finite displacements

  Language:Python820

• QijingZheng/phonon_angular_momentum

  Language:Python8213

• Vaitesswar/Machine_Learning_for_Thermoelectric_Materials

  Language:Jupyter Notebook8102

• glensk/phonon-lifetimes

  A script to compute (phonon) power-spectra, and corresponding frequencies and phonon-lifetimes from atomic positions obtain by molecular dynamics.

  Language:Python6003

• matk86/MatMiner

  data mining for Materials Science

  Language:Jupyter Notebook6300

• xu-xi/clusterexpansion

  Python scripts for cluster expansion

  Language:Python6203

• stakum/Lecture_Materials

  Language:Jupyter Notebook4002

• brigantv/MolForge_SNAP

  A multipurpose Fortran2003+MPI suite of codes for the simulation of spin dynamics at the atomistic level. The code is developed to readily interface with first-principles codes.

  Language:Fortran1

• Dyaopf/md2tau

  This code extracts line width of phonons from specular energy density (SED) calculated with LAMMPS.

  Language:Python1000

• JaGeo/tdep-tutorials

  TDEP Tutorials

  Language:Makefile100

• JaGeo/tools.tdep

  Language:Python100

• lucasyzhu/PhononFlow

  A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.

  Language:Shell1000

• Michaeldbydbcl/deepxde

  Deep learning library for solving differential equations and more

  Language:Python1000

• yangjin-feng/Minikappa

  Data and code for journal publication on "A unified understanding of minimum lattice thermal conductivity"

  Language:Python1000

• yangjin-feng/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:Python1000