hityingph / Tutorial-on-atomic-simulationsLinks
Tutorials on atomic simulations related to my research
☆30Updated 3 years ago
Alternatives and similar repositories for Tutorial-on-atomic-simulations
Users that are interested in Tutorial-on-atomic-simulations are comparing it to the libraries listed below
Sorting:
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆38Updated this week
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆32Updated 8 months ago
- GPUMD and LAMMPS helper functions for thermal computations☆26Updated 3 years ago
- This GitHub repository contains additional information supporting published manuscripts☆17Updated 11 months ago
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆22Updated 3 years ago
- Some scripts for gpumd and nep☆20Updated 10 months ago
- Some examples of GPUMD☆23Updated last year
- Python codes to calculate phonon spectral energy density from LAMMPS velocity data.☆27Updated 4 years ago
- Visualizing lattice vibration information from phonon dispersion to atoms (For GPUMD)☆31Updated last year
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 3 years ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆30Updated last week
- A Python interface for GPUMD☆32Updated 2 years ago
- Tools for Phono(3)py power users.☆34Updated last year
- Molecular dynamics package designed for the SIESTA DFT code.☆17Updated last week
- A 200-line Matlab implementation of the Atomistic Green's function (AGF) method for phonon transport☆27Updated 5 years ago
- A python interface of NEP☆59Updated 8 months ago
- A Toolkit for GPUMD&NEP☆43Updated this week
- Material structure processing software based on ASE (Atomic Simulation Environment)☆57Updated 3 weeks ago
- A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…☆23Updated 2 years ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆28Updated 8 months ago
- Allen-Feldman thermal conductivity compatible to GULP implementation☆19Updated 4 months ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Updated 6 years ago
- Harmonic phonon transmission calculations from molecular dynamics trajectories☆14Updated 5 years ago
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆20Updated 5 years ago
- GPUMD and LAMMPS helper functions for thermal computations☆10Updated 3 years ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- An automated toolkit for training neuroevolution potential (NEP), integrating tools like GPUMD, VASP, and NEP for streamlined workflows i…☆30Updated this week
- NepTrainKit is a Python package for visualizing and manipulating training datasets for NEP.☆68Updated this week