(NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.
☆34Dec 13, 2024Updated last year
Alternatives and similar repositories for New-Version-Spectral-decomposition-python-tools
Users that are interested in New-Version-Spectral-decomposition-python-tools are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Harmonic phonon transmission calculations from molecular dynamics trajectories☆14Nov 11, 2019Updated 6 years ago
- Python tools for calculating the spectral heat current distribution from LAMMPS NEMD simulations☆32Dec 25, 2021Updated 4 years ago
- GPUMD and LAMMPS helper functions for thermal computations☆10May 21, 2022Updated 4 years ago
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆58Updated this week
- Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆15Mar 11, 2020Updated 6 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- A 200-line Matlab implementation of the Atomistic Green's function (AGF) method for phonon transport☆30Feb 8, 2020Updated 6 years ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆29May 13, 2026Updated 2 months ago
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆24Jun 23, 2020Updated 6 years ago
- Molecular dynamics package designed for the SIESTA DFT code.☆17Nov 10, 2025Updated 9 months ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆39May 19, 2026Updated 2 months ago
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆27Dec 17, 2025Updated 7 months ago
- This repository contains 'sample' LAMMPS input scripts for molecular dynamics thermal conductivity simulation and phonon mode analysis, v…☆14Apr 7, 2023Updated 3 years ago
- Tutorials on atomic simulations related to my research☆32Jun 30, 2022Updated 4 years ago
- Visualizing lattice vibration information from phonon dispersion to atoms (For GPUMD)☆32Sep 24, 2025Updated 10 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- This GitHub repository contains additional information supporting published manuscripts☆21Sep 9, 2024Updated last year
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆21Jul 18, 2020Updated 6 years ago
- Python codes to calculate phonon spectral energy density from LAMMPS velocity data.☆30Jan 21, 2021Updated 5 years ago
- Tools for phase field crystal modeling of two-dimensional materials.☆20Oct 27, 2019Updated 6 years ago
- Python library for computing electron-phonon renormalizations from finite displacements☆11Jan 6, 2025Updated last year
- Extension of almaBTE's Monte Carlo code beyond the relaxation-time approximation.☆10Sep 24, 2023Updated 2 years ago
- Some scripting tools used for lammps input or output☆69May 19, 2025Updated last year
- Some examples of GPUMD☆24Jul 25, 2026Updated 2 weeks ago
- GPUMD and LAMMPS helper functions for thermal computations☆26Jul 2, 2022Updated 4 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- This is a GPU optimized version of ShengBTE.☆20Oct 3, 2024Updated last year
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆84Apr 20, 2026Updated 3 months ago
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆93May 11, 2026Updated 2 months ago
- ☆14Apr 9, 2025Updated last year
- Tools for Phono(3)py power users.☆37Oct 23, 2023Updated 2 years ago
- Non-equilibrium green's function method☆20Nov 26, 2015Updated 10 years ago
- Calculation of the electron-phonon coupling parameter and heat capacities (i.e. all material-specific quantities required for a two-tempe…☆10Jan 24, 2022Updated 4 years ago
- A Python interface for GPUMD☆36Nov 30, 2022Updated 3 years ago
- The TurboGAP code☆21Updated this week
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- High-performance phase field crystal (PFC) code for generating realistic model systems of polycrystalline graphene.☆16Nov 13, 2018Updated 7 years ago
- Interfacial Phonon code☆28Jul 31, 2022Updated 4 years ago
- Anharmonic Lattice Dynamics☆190Updated this week
- extract third order force constants from TDEP output☆10Jun 22, 2020Updated 6 years ago
- Supplement files of paper "Thermodynamics of Water and Ice from a Fast and Scalable First-Principles Neuroevolution Potential"☆17Nov 5, 2023Updated 2 years ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆52Mar 9, 2019Updated 7 years ago
- Phonon anharmonicity analysis from molecular dynamics☆143Jul 22, 2026Updated 2 weeks ago