Ferroelectric/Ferroelastic domain wall builder
☆23Oct 17, 2024Updated last year
Alternatives and similar repositories for DWBuilder
Users that are interested in DWBuilder are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- We identify a ferroelectric topological structure, termed "dipole spiral," which exhibits a giant intrinsic piezoelectric response (>320 …☆10Aug 28, 2024Updated 2 years ago
- Python codes for calculation of polarization displacement vector in ferroelectric materials☆17Sep 11, 2026Updated last week
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆14Aug 5, 2026Updated last month
- Defect analysis modules for pymatgen☆67Updated this week
- AI boosted Q-robot for VASP daily processing.☆15Updated this week
- 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.
- Software to calculate magnetostriction coefficients and magnetoelastic constants☆22Aug 2, 2023Updated 3 years ago
- ReaxNet: a polarizable long-range interactions integrated equivariant machine learning potential☆18Jan 6, 2026Updated 8 months ago
- 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 for Moiré EXciton calculations☆16Aug 31, 2026Updated 3 weeks ago
- Open-source first-principles computational toolkit for the efficient calculation of the strength of materials in 1D, 2D, and 3D materials…☆25Jun 18, 2026Updated 3 months ago
- A Python toolkit to perform common tensor operations in Continuum Mechanics☆27Jul 8, 2026Updated 2 months ago
- A software package for the high throughput construction, analysis, and featurization of two- and three-dimensional perovskite systems.☆32Sep 8, 2024Updated 2 years ago
- Calculate 3rd order elastic constant.☆13Mar 23, 2025Updated last year
- The ability to manipulate domains and domain walls underpins function in a range of next-generation applications of ferroelectrics. While…☆22Jul 6, 2023Updated 3 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Code for calculating grouped representation of interatomic distances (GRID) from crystal structures, and applying this in machine learnin…☆13Jun 22, 2023Updated 3 years ago
- SimpleAtom, a web interface for MACE(Message Passing Atomic Cluster Expansion) a machine-learning-based interatomic potential☆17Sep 15, 2026Updated last week
- some toolkits for VASP☆35Apr 30, 2021Updated 5 years ago
- ☆15Jul 28, 2026Updated last month
- Code and scripts for theoretical and computational chemistry, developed in TCCL, Department of Chemistry, Tsinghua University. These sc…☆23Nov 29, 2013Updated 12 years ago
- The phase field code of simulation about reversible domain switch phenomena in ferroelectric material.☆29Nov 23, 2020Updated 5 years ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆37Nov 10, 2024Updated last year
- Export Eigenvectors from Phonopy format to VESTA☆56Dec 24, 2024Updated last year
- A python based, MPI enabled, Monte-Carlo calculation of 2D system using Metropolis algorithm.☆39Dec 26, 2021Updated 4 years ago
- 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.
- Genetic Algorithm for Structure and Phase Prediction☆20Aug 25, 2016Updated 10 years ago
- Advanced ASE Transition State Tools for ABACUS and Deep-Potential☆52Updated this week
- Crystal Graph Convolutional Neural Networks tutorial☆31Mar 27, 2023Updated 3 years ago
- ☆30Sep 9, 2026Updated 2 weeks ago
- Toolkit for visualizing phase stability and defects diagrams from DFT calculations of multicomponent materials.☆19Feb 20, 2024Updated 2 years ago
- GPTFF allowing anyone to directly download and run the AI model in an out-of-the-box manner☆72Jul 25, 2026Updated last month
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆74Mar 15, 2024Updated 2 years ago
- A Python3 implementation of the Spectroscopic Limited Maximum Efficiency (SLME) analysis of solar absorbers☆31Feb 16, 2022Updated 4 years ago
- A set of tools and structures for modelling perovskite polytypes☆13Jun 18, 2023Updated 3 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- MACE-Field - Fast and accurate machine learning interatomic potentials under an external electric field for predicting dielectric propert…☆31Updated this week
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆86May 11, 2026Updated 4 months ago
- ☆19Jan 27, 2020Updated 6 years ago
- Introductory lectures in atomistic machine learning☆24May 27, 2026Updated 3 months ago
- Matlab Implementation of Landau-Ginzburg Phase Field Model☆27Feb 22, 2019Updated 7 years ago
- Script to generate distorted perovskite structures☆13Feb 10, 2024Updated 2 years ago
- A tool for plotting phonon dispersion curves and phonon density of states.☆11Oct 1, 2020Updated 5 years ago