A program to do spin correlated nonadiabatic molecular dynamics (NAMD).
☆14Jun 5, 2025Updated last year
Alternatives and similar repositories for NAMDwithSOC
Users that are interested in NAMDwithSOC are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Take electron-phonon interaction as non-adiabatic coupling to do non-adiabatic molecular dynamics simulation.☆11Jun 27, 2024Updated 2 years ago
- Hefei-NAMD is an ab initio non-adiabatic molecular dynamics program based on time-dependent density-functional theory and surface hopping…☆36Mar 29, 2023Updated 3 years ago
- JADE-NAMD: An package for the on-the-fly nonadiabatic molecular dynamics simulation☆21Jun 1, 2021Updated 5 years ago
- python workflow for GW-BSE calculation☆32Jun 16, 2023Updated 3 years ago
- Concentric Approximation - Non-adiabatic Coupling☆28Mar 9, 2026Updated 7 months 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.
- KPROJ: A Band Unfolding Program☆50Feb 6, 2025Updated last year
- Extended DeepH (xDeepH) method for magnetic materials.☆41Jun 14, 2023Updated 3 years ago
- Computational tools for light-matter interaction including a whole zoo of nonlinear spectroscopic signals; nonadiabatic molecular dynamic…☆11Dec 6, 2023Updated 2 years ago
- Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.☆18Dec 8, 2022Updated 3 years ago
- Implementation for computing nonradiative recombination rates in semiconductors☆56Nov 6, 2025Updated 11 months ago
- A collection of examples for running different types of VASP calculations.☆36Oct 30, 2016Updated 9 years ago
- ab-initio nonadiabatic molecular dynamics program☆129May 21, 2024Updated 2 years ago
- Fast and flexible nonadiabatic molecular dynamics in Julia!☆71Sep 14, 2026Updated last month
- This is a mirror. See https://gitlab.com/team-parker/mudslide for development☆20May 23, 2026Updated 4 months 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.
- Program Package for Sampling, Training and Applying ML-based Potential models☆13Oct 5, 2026Updated last week
- Flarum WeChat Login extension☆14Oct 19, 2023Updated 2 years ago
- RPMD and rate constant calculations on black-box and machine-learning potential energy surfaces☆17Sep 15, 2026Updated last month
- 微信聊天机器人微调模型实践指南☆21Mar 3, 2025Updated last year
- ☆33May 27, 2020Updated 6 years ago
- Python tools for quantum dynamics, light-matter interaction, spectroscopy, nonadiabatic molecular dynamics, open systems, and electronic …☆25Updated this week
- ♯SHAARP is an open-source package for deriving and simulating optical second harmonic generation (SHG) from a single interface (si). Thi…☆26Jun 16, 2025Updated last year
- Xatu solves the Bethe-Salpeter equation in solids to obtain the exciton spectrum☆32Nov 7, 2025Updated 11 months ago
- Band alignment plotting tool☆27Mar 28, 2025Updated last year
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- An interface program between Gaussian and CFour.☆14Sep 18, 2023Updated 3 years ago
- topoPhonon package is a python package that allows users to calculate topological properties (berry phase, berry curvature, wannier charg…☆30Oct 15, 2025Updated last year
- some toolkits for VASP☆36Apr 30, 2021Updated 5 years ago
- Automatic MR based on PySCF☆18Updated this week
- Feynman's variational path-integral model for the Fröhlich polaron. Calculates temperature dependent polaron mobilities, and other polaro…☆36May 27, 2026Updated 4 months ago
- VASP Integrated Supporting Environment☆29Sep 17, 2026Updated last month
- Band unfolding for phonons