WU2JING

-Phonon-vibration-visualization-by-lammps-and-phonopy

agf

An Atomistic Green's Function solver based on the Zhang-Mingo method.

API_Phonons

This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.

Atomistic-Green-function

Atomistic Green's function (AGF) method for phonon transport

BoundaryScattering

boundary scattering and strain field scripts

DeePMD

The learning process of DeePMD

EPW-nano

Modified EPW code for first principles calculation of electron transport and thermoelectric property of materials, including electron-phonon scattering, defect scattering, and phonon drag.

NPR

The datasets (MTP potential, training set and LAMMPS input file) generated during the NPR study for graphene

Phonon

The meathod to calculate phonon dispersion

python

These python or matlab scripts are written to calculate thermal conductivity and negative parameters

WU2JING/Phonon

The meathod to calculate phonon dispersion

WU2JING/DeePMD

The learning process of DeePMD

WU2JING/Atomistic-Green-function

Atomistic Green's function (AGF) method for phonon transport

WU2JING/EPW-nano

Modified EPW code for first principles calculation of electron transport and thermoelectric property of materials, including electron-phonon scattering, defect scattering, and phonon drag.

WU2JING/NPR

The datasets (MTP potential, training set and LAMMPS input file) generated during the NPR study for graphene

WU2JING/python

These python or matlab scripts are written to calculate thermal conductivity and negative parameters

WU2JING/-Phonon-vibration-visualization-by-lammps-and-phonopy

WU2JING/agf

An Atomistic Green's Function solver based on the Zhang-Mingo method.

WU2JING/API_Phonons

This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.

WU2JING/BoundaryScattering

boundary scattering and strain field scripts

WU2JING/deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics

WU2JING/empirical_thermal_conductivity

Estimate the thermal conductivity using empirical models

WU2JING/Euphonic

Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intensities from force constants.

WU2JING/H

The data of paper "Deep-potential driven multiscale simulation of gallium nitride devices on boron arsenide cooling substrates"

WU2JING/homepage

my hompage

WU2JING/lammps

Public development project of the LAMMPS MD software package

WU2JING/lammpstutorials.github.io

This is the script of my webpage "LAMMPS : Tutorials, Tips, and Scripts"

WU2JING/modecode

Massively parallel vibrational mode calculator.

WU2JING/MulSKIPS

A Kinetic Monte Carlo super-Lattice code designed to simulate with atomic resolution the kinetics of processes (e.g., PVD, CVD, laser annealing) involving elements, alloys and compounds characterized by the sp3 bond symmetry.

WU2JING/nemd_example

Example for NEMD simulation

WU2JING/New-Version-Spectral-decomposition-python-tools

(NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.

WU2JING/NNP_Ga2O3

Neural Network Potential for Beta-Ga2O3

WU2JING/phonon-transmission

Harmonic phonon transmission calculations from molecular dynamics trajectories

WU2JING/PhononSED

Calculation of Phonon Lifetimes using Spectral Energy Density (MD based calculation)

WU2JING/Phonopy_VESTA

Export Eigenvectors from Phonopy format to VESTA

WU2JING/Powder-Spectrum

Compute INS 'powder spectrum' by generate a 'uniform' mesh of Q-points with length |Q|, then calling SNAXS to compute SQW on the grid.

WU2JING/PyNEP

WU2JING/SED

Spectral Energy Density analysis of phonon modes in 2D materials

WU2JING/sisl

Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations

WU2JING/VASP-plot-modes-1

Code to convert DFPT modes in OUTCAR files to VESTA images