Inverse Design of Materials by Multi-objective Differential Evolution
☆50May 13, 2026Updated 5 months ago
Alternatives and similar repositories for IM2ODE
Users that are interested in IM2ODE are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ⚗️ matador is an aggregator, manipulator and runner of first-principles calculations, written with a bent towards battery 🔋 electrode ma…☆35Oct 1, 2026Updated 2 weeks ago
- Deep learning for crystal-structure recognition and analysis of atomic structures☆45Feb 19, 2024Updated 2 years ago
- A collection of command line utilities for manipulating VASP input / outpu☆25Mar 4, 2022Updated 4 years ago
- Corrections for formation energy and eigenvalues for charged defect simulations☆15Apr 18, 2023Updated 3 years ago
- Quick tools for materials chemistry☆19May 29, 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.
- Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.☆18Dec 8, 2022Updated 3 years ago
- Genetic Algorithm for Structure and Phase Prediction☆20Aug 25, 2016Updated 10 years ago
- A collection of examples for running different types of VASP calculations.☆36Oct 30, 2016Updated 9 years ago
- ☆12Sep 29, 2026Updated 3 weeks ago
- The inverse materials design is a key topic of materials science nowadays. The proposed software solutions are useful tools for decision …☆11Jul 15, 2020Updated 6 years ago
- A couple pedagogical jupyter notebooks about theoretical efficiency limits on solar cells☆23Nov 16, 2023Updated 2 years ago
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆137May 26, 2026Updated 4 months ago
- Tools for Phono(3)py power users.☆38Oct 23, 2023Updated 2 years ago
- POST code for second order elastic constant☆46Apr 14, 2020Updated 6 years ago
- 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.
- extract third order force constants from TDEP output☆10Jun 22, 2020Updated 6 years ago
- Julia codes to play with Phonons☆25Nov 7, 2018Updated 7 years ago
- Machine Learning Interatomic Potential Predictions☆93Feb 15, 2024Updated 2 years ago
- Analyse molecular dynamics simulations of solid-state ion transport by assigning mobile ions to discrete sites☆18Oct 14, 2026Updated last week
- R codes for generating candidates of novel polymers with high thermal conductivity using iqspr (R package)☆15Jan 22, 2019Updated 7 years ago
- Atomistic foundation models for materials simulation and discovery. Research previews from Kairos Materials.☆57Oct 2, 2026Updated 2 weeks ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆31Aug 6, 2021Updated 5 years ago
- A set of tools and structures for modelling perovskite polytypes☆13Jun 18, 2023Updated 3 years ago
- Blender extensions for illustrations of phonons☆71Mar 6, 2019Updated 7 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆32Aug 5, 2020Updated 6 years ago
- A tool for finding optimized SQS structures tool written in C++☆80Updated this week
- A general parser for VASP☆16Oct 13, 2026Updated last week
- Automatic generation of crystal structure descriptions.☆142Jun 15, 2026Updated 4 months ago
- Official public repository for the XtalOpt crystallographic multi-objective variable-composition evolutionary algorithm☆54Sep 11, 2026Updated last month
- A Fortran90 program for unfolding phonon dispersions☆13Jun 12, 2020Updated 6 years ago
- ☆12Feb 28, 2020Updated 6 years ago
- Repository for spectral neighbor analysis potential (SNAP) model development.☆40Jun 30, 2020Updated 6 years ago
- A deep learning Bayesian framework for attribute driven inverse materials design☆15Mar 4, 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.
- ☆19Oct 24, 2018Updated 7 years ago
- Ewald summation program for computing the long range Coulomb interactions in 3D Periodic systems☆17Jun 27, 2017Updated 9 years ago
- Software to calculate magnetostriction coefficients and magnetoelastic constants☆22Aug 2, 2023Updated 3 years ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆51May 6, 2024Updated 2 years ago
- CrySPY is a crystal structure prediction tool written in Python.☆155Sep 6, 2026Updated last month
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆56Jan 26, 2026Updated 8 months ago
- AIRSS works together with VASP.☆16Dec 8, 2022Updated 3 years ago