Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.
☆17Mar 11, 2020Updated 6 years ago
Alternatives and similar repositories for Spectral-decomposition-python-tools
Users that are interested in 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:
- Tutorials on atomic simulations related to my research☆32Jun 30, 2022Updated 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.☆59Jul 3, 2026Updated 2 weeks ago
- GPUMD and LAMMPS helper functions for thermal computations☆26Jul 2, 2022Updated 4 years ago
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆34Dec 13, 2024Updated last year
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Molecular dynamics package designed for the SIESTA DFT code.☆17Nov 10, 2025Updated 8 months ago
- Tools for phase field crystal modeling of two-dimensional materials.☆20Oct 27, 2019Updated 6 years ago
- ☆12Dec 19, 2016Updated 9 years ago
- This GitHub repository contains additional information supporting published manuscripts☆21Sep 9, 2024Updated last year
- A 200-line Matlab implementation of the Atomistic Green's function (AGF) method for phonon transport☆29Feb 8, 2020Updated 6 years ago
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆26Dec 17, 2025Updated 7 months ago
- Anharmonic Lattice Dynamics☆190Updated this week
- A python interface of NEP☆73Oct 27, 2025Updated 8 months ago
- The TurboGAP code☆21Jul 3, 2026Updated 2 weeks ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Allen-Feldman thermal conductivity compatible to GULP implementation☆22Updated this week
- High-performance phase field crystal (PFC) code for generating realistic model systems of polycrystalline graphene.☆16Nov 13, 2018Updated 7 years ago
- Visualizing lattice vibration information from phonon dispersion to atoms (For GPUMD)☆32Sep 24, 2025Updated 9 months ago
- Some examples of GPUMD☆24May 15, 2024Updated 2 years ago
- A tutorial on the linear scaling quantum transport methods using Jupyter (with Python3)☆14Mar 17, 2019Updated 7 years ago
- A CUDA-implementation of linear-scaling quantum transport methods☆28Sep 28, 2023Updated 2 years ago
- In this project, we give python and C++ codes for the Ring Polymer Molecular Dynamics (RMPD) to calculate the time correlation function(…☆12Dec 31, 2017Updated 8 years ago
- 🔧 Python package for 3rd/4th-order force constant calculation via finite displacement method, with ML potential support & thermal disord…☆15Apr 21, 2026Updated 3 months ago
- A Python interface for GPUMD☆36Nov 30, 2022Updated 3 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- ☆14Apr 9, 2025Updated last year
- Sample codes on computational solid state physics☆17Aug 15, 2020Updated 5 years ago
- Material structure processing software based on ASE (Atomic Simulation Environment)☆77Updated this week
- Some scripting tools used for lammps input or output☆69May 19, 2025Updated last year
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆83Apr 20, 2026Updated 3 months ago
- Interactive tutorials for the PIMD Massive Open Online Course☆25Aug 2, 2023Updated 2 years ago
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆93May 11, 2026Updated 2 months ago
- Count rings in a undirected graph.☆18May 6, 2023Updated 3 years ago
- 厦门大学疫情自动打卡☆12Dec 9, 2022Updated 3 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- This is a GPU optimized version of ShengBTE.☆20Oct 3, 2024Updated last year
- Phonon anharmonicity analysis from molecular dynamics☆143Apr 14, 2026Updated 3 months ago
- Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…☆42Jun 10, 2026Updated last month
- Supplement files of paper "Thermodynamics of Water and Ice from a Fast and Scalable First-Principles Neuroevolution Potential"☆17Nov 5, 2023Updated 2 years ago
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆46Sep 4, 2025Updated 10 months ago
- A user package of LAMMPS software enabling simulations using linearized machine learning potentials☆11Jul 2, 2026Updated 2 weeks ago
- Massively parallel vibrational mode calculator.☆23Aug 14, 2024Updated last year