High throughput workflow tools for characterizing 2D materials in VASP.
☆22Jul 6, 2023Updated 2 years ago
Alternatives and similar repositories for twod_materials
Users that are interested in twod_materials are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…☆77Feb 3, 2024Updated 2 years ago
- Visualizations☆14Jan 10, 2022Updated 4 years ago
- A Schrödinger-Poisson solver for 2D materials with 1D interfaces (wires)☆22Jan 24, 2022Updated 4 years ago
- ElATools: A tool for analyzing anisotropic elastic properties of the 2D and 3D materials☆54Sep 18, 2025Updated 6 months ago
- Materials informatics framework for ab initio data repositories☆18Aug 16, 2022Updated 3 years ago
- DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Calculates the pair distribution function (PDF) of a POSCAR file.☆12Mar 7, 2016Updated 10 years ago
- Onsager coefficients for interstitial and vacancy-mediated diffusion☆14Jan 31, 2025Updated last year
- Julia codes to play with Phonons☆24Nov 7, 2018Updated 7 years ago
- Blender extensions for illustrations of phonons☆69Mar 6, 2019Updated 7 years ago
- MatID is a python package for identifying and analyzing atomistic systems based on their structure. MatID is designed to help researchers…☆23Nov 28, 2023Updated 2 years ago
- A real-space DFT code☆16Dec 4, 2020Updated 5 years ago
- ☆19Oct 24, 2018Updated 7 years ago
- Making life easier using scripting languages (Bash and Python) to facilitate multiple VASP simulation jobs preparation, submission and an…☆13Dec 15, 2014Updated 11 years ago
- MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms☆20Mar 13, 2023Updated 3 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- A computational framework to automate point defect calculations☆38Jun 5, 2018Updated 7 years ago
- Deep learning for crystal-structure recognition and analysis of atomic structures☆42Feb 19, 2024Updated 2 years ago
- Computational experiments using SMACT for materials design☆11Jul 3, 2020Updated 5 years ago
- A collection of structures, force constants and phonon data obtained from first-principles calculations☆41Sep 13, 2020Updated 5 years ago
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆260Jul 18, 2024Updated last year
- BandUP: Band Unfolding code for Plane-wave based calculations☆106Apr 13, 2021Updated 4 years ago
- Embedding module for VASP and tools for its use.☆10Feb 20, 2025Updated last year
- Solvation model for the plane wave DFT code VASP.☆172Oct 1, 2025Updated 5 months ago
- A collection of command line utilities for manipulating VASP input / outpu☆25Mar 4, 2022Updated 4 years ago
- DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- dlePy☆10Dec 25, 2021Updated 4 years ago
- DFT post processing tools☆26Jul 24, 2024Updated last year
- Two-dimensional materials manufacturing system☆24Jan 19, 2022Updated 4 years ago
- extract third order force constants from TDEP output☆10Jun 22, 2020Updated 5 years ago
- D3Q + thermal2☆26Nov 3, 2025Updated 4 months ago
- Command-line utilities and Python libraries designed to make life with VASP easier☆56Aug 30, 2019Updated 6 years ago
- Thermodynamics powered by Machine Learning☆11May 7, 2021Updated 4 years ago
- This code deals with MD trajectory from VASP. It calculates lattice parameters, RMSD, and coordination number and also generates .xyz out…☆11Oct 11, 2021Updated 4 years ago
- High-Performance configuration patterns and recipes.☆45Feb 11, 2026Updated last month
- NordVPN Special Discount Offer • AdSave on top-rated NordVPN 1 or 2-year plans with secure browsing, privacy protection, and support for for all major platforms.
- Calculate 3rd order elastic constant.☆13Mar 23, 2025Updated last year
- Files from the 2021 Soft Electronic Materials MRes Computational Workshop on Material Structure and Dynamics☆14Nov 3, 2021Updated 4 years ago
- Python Materials Discovery Framework☆75Feb 2, 2024Updated 2 years ago
- Nagoya Atomistic-simulation Package (NAP). Why don't you take a NAP? ;)☆23Mar 20, 2026Updated last week
- Multipurpose ab initio MD program.☆12Mar 18, 2026Updated last week
- Documentation about the Tympan☆14Jun 14, 2022Updated 3 years ago
- python toolkit for nanoscience☆30Mar 25, 2021Updated 5 years ago