hnwglsh Goto Github PK
Name: Liu Songhong
Type: User
Name: Liu Songhong
Type: User
A wrapper for many computational codes of thermal conductivity
Useful codes for acoustic phononic crystal calculations
Computes potentials and total energy of a 3D configuration of ideal point charges
A book on modeling materials using VASP, ase and vasp
Phonon Analysis from Molecular Dynamics Data
This model is buid to use ednn to calculate the total energy of a bunch of molecules
Post-processing of electron-phonon coupling calculations from Abinit
Restricted Hartree-Fock method for computation of total energy of water
Texture descriptors for images based on geometric total variation energy density
A generic INCAR file for the density functional theory package VASP
Julia codes to play with Phonons
MagCalc calculates finite temperatures properties such as: magnetization, entropies (magnetic, lattice and total), free energies and others as functions of temperature and applied magnetic field.
MiniDFT is a minimalist version of Quantum ESPRESSO that performs only LDA total energy and gradient calculations. The purpose of miniDFT is to explore new parallelization schemes, programming languages, programming models and computer architectures, and evaluate their suitability for plane-wave DFT calculations. These types of experiments will be more easily done with MiniDFT than with QE, because the current version of MiniDFT is significantly smaller than QE.
Modulation of the crystal structures using phonons obtained from DFT calculations.
A set of scripts for generating GIF animations of phonon modes in molecular crystals.
Applying Behler's symmetry function and neural network approach to data-derived total energies in condensed matter Physics
Tools for linear-scaling phonon calculations; using onetep for the DFT and phonopy for pre/post-processing
LAMMPS interface for phonon calculations using phonopy
Calculation of phonon dispersion
Harmonic and cubic-order phonon transmission calculations from molecular dynamics trajectories
Example for NaCl based almost entirely on phonopy
A collection of structures, force constants and phonon data obtained from first-principles calculations
Develop a code for phonon calculation within DFT+DMFT formalism.
Predicts the total energies and enthalpies of formation of metal-nonmetal compounds from their composition.
An implementation of the SPH algorithm with an interpretation of the total energy and pressure of the system.
MATLAB code for phonon calculations using split-ACP
Scripts for generating molecule surface interface total energy calc
General outline of how to perform DFT calculation using VASP with some advanced calculation topics as well
Scripts for creating, reading, visualizing, analyzing data, etc for files for DFT calculations using VASP.
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.