Automate the discovery of stable 2D materials stacked on substrates (either another 2d or substrate surface)! Compute the properties of the interacting system!
☆14Apr 2, 2026Updated 6 months ago
Alternatives and similar repositories for Hetero2d
Users that are interested in Hetero2d are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Builds 2D heterostructures via coincidence lattice theory.☆16Nov 21, 2023Updated 2 years ago
- Package for investigation of mulitlayer 2D heterostructures' lattices (Work in progress!)☆22Jan 17, 2021Updated 5 years ago
- First-principles calculated elastic and mechanical properties of 2D materials and their heterostructures☆16Mar 5, 2024Updated 2 years ago
- ☆13Nov 19, 2019Updated 6 years ago
- Python scripts for generating moiré lattices in twisted bilayer 2D materials and creating TMDC nanotubes.☆11Oct 13, 2024Updated 2 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.
- post-processing package that performs analysis of structural, transport, and thermodynamic properties from ab initio molecular dynamics s…☆15Oct 23, 2026Updated last week
- Postprocess the phonon spectra, phonon dos, atomic participation rate, mean square displacement, scattering rate, and energy cumulative …☆12Feb 27, 2021Updated 5 years ago
- This WaNo performs the DFT calculation using Vasp code. In this WaNo, the POTCAR might be automatically generated after reading the POSCA…☆14Jun 30, 2025Updated last year
- This is the repository of code and data for paper "Machine learning-enabled chemical space exploration of all-inorganic perovskites for p…☆12Sep 23, 2024Updated 2 years ago
- Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…☆76Feb 3, 2024Updated 2 years ago
- Personal collection of scripts to handle FHI-aims calculations.☆11May 26, 2024Updated 2 years ago
- Code for calculating grouped representation of interatomic distances (GRID) from crystal structures, and applying this in machine learnin…☆13Jun 22, 2023Updated 3 years ago
- Interactive command-line pre/post-processing copilot for the ABACUS DFT software (GPL-3.0)☆40Oct 1, 2026Updated 3 weeks ago
- Supplementary Material for "Neuromorphic Silicon Photonics"☆11Apr 13, 2017Updated 9 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- A set of tools and structures for modelling perovskite polytypes☆13Jun 18, 2023Updated 3 years ago
- Chiraltube is a small python code that prints atomic coordinates for different nanotube and nanoribbon structures in special .xyz files f…☆15Apr 20, 2026Updated 6 months ago
- ☆12Oct 1, 2026Updated 3 weeks ago
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆14Aug 5, 2026Updated 2 months ago
- A tool for plotting phonon dispersion curves and phonon density of states.☆12Oct 1, 2020Updated 6 years ago
- Script to generate distorted perovskite structures☆13Feb 10, 2024Updated 2 years ago
- 原版 Codex 的轻量模型适配与设置:统一支持 macOS / Windows,按需接入 DeepSeek、云端与本地模型,支持同对话切换、自动更新和卸载恢复。☆27Updated this week
- Tools and a simple model for the spatially constant LLG equation☆18May 31, 2019Updated 7 years ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆19Dec 18, 2022Updated 3 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Structure Prototype Analysis Package can analyze symmetry and compare similarity of a large number of atomic structures.☆25Sep 9, 2022Updated 4 years ago
- AI boosted Q-robot for VASP daily processing.☆15Oct 13, 2026Updated 2 weeks ago
- Tutorial to learn basic features of atomate2☆15Sep 17, 2024Updated 2 years ago
- Using the CGCNN transfer learning model to pridict the voltages of many kinds of metal-ion battery electrodes☆12Aug 23, 2022Updated 4 years ago
- Generate random alloys and compute various properties☆72May 26, 2026Updated 5 months ago
- A code to compute the radial distribution function☆21Feb 22, 2019Updated 7 years ago
- Graph-based Deep Learning of Polycrystals☆19Nov 12, 2022Updated 3 years ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆27Sep 27, 2019Updated 7 years ago
- V2DB (Virtual 2D Materials Database): the code for generating and predicting the novel 2D materials by virtual screening.☆26Aug 20, 2020Updated 6 years 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.
- ☆12Jun 19, 2021Updated 5 years ago
- Ferroelectric/Ferroelastic domain wall builder☆23Oct 17, 2024Updated 2 years ago
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆22Feb 17, 2023Updated 3 years ago
- API database tools for accessing the NIST Interatomic Potentials Repository: explore and download interatomic potentials and computed pro…☆14Aug 5, 2026Updated 2 months ago
- Protein preparation for MD, made faster and easier !☆15Dec 18, 2023Updated 2 years ago
- bash scripts for buiding and managing hpc based on open hpc.☆23Dec 27, 2025Updated 10 months ago
- Collection of ASE (Atomic Simulation Environment) Scripts for Bimetallic Nanoparticles☆12Oct 23, 2021Updated 5 years ago