A Scheil-Gulliver simulation tool using pycalphad.
☆26Dec 15, 2025Updated 2 months ago
Alternatives and similar repositories for scheil
Users that are interested in scheil are comparing it to the libraries listed below
Sorting:
- Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.☆16Nov 17, 2023Updated 2 years ago
- Python package for uncertainty quantification in CALPHAD☆12Dec 2, 2024Updated last year
- Fitting thermodynamic models with pycalphad - https://doi.org/10.1557/mrc.2019.59☆80Dec 15, 2025Updated 2 months ago
- OpenIEC: An open-source code for interfacial energy calculation in alloys☆38Dec 2, 2023Updated 2 years ago
- Datasets to be used by ESPEI. CC-BY-4.0☆14Oct 9, 2021Updated 4 years ago
- CALPHAD tools for designing thermodynamic models, calculating phase diagrams and investigating phase equilibria.☆367Feb 8, 2026Updated 3 weeks ago
- Derivation and construction of a thermodynamic phase diagram for ternary alloy systems with 2 or 3 phases☆19Jun 16, 2020Updated 5 years ago
- Open-source python package for multicomponent multiphase equilibrium CALPHAD calculations☆27Jan 7, 2026Updated last month
- This repository will house information and code examples of pulling thermodynamic data from metal alloy systems from the NIST alloy data …☆11Jun 2, 2022Updated 3 years ago
- This code contributes to predict any properties (heat of formation and crystal data) from a DFT learning database by a supervised machine…☆10Aug 25, 2021Updated 4 years ago
- Adaptive Mesh Phase-field Evolution☆41Dec 15, 2025Updated 2 months ago
- MicroSim is a project under the National Supercomputing Mission, Govt of India. The project offers a set of codes that can use high perfo…☆40Feb 16, 2026Updated last week
- ☆32Sep 21, 2022Updated 3 years ago
- Crystal Plasticity (Python code)☆13Oct 16, 2018Updated 7 years ago
- A demo code for implementation of differentiable thermodynamic modeling in JAX.☆10Sep 18, 2021Updated 4 years ago
- Optimising microstructures numerically (OMicroN). Full field physics-based simulation package for metallic microstructure during treatmen…☆15Feb 12, 2026Updated 2 weeks ago
- This repository contains detailed instructions, input files and data analysis Jupyter notebooks for performing free energy calculations …☆29Sep 28, 2020Updated 5 years ago
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated 4 months ago
- Primer of crystal symmetry and space group☆16Jan 7, 2026Updated last month
- MPI-parallelized cellular automaton ensemble model for the simulation of primary recrystallization phenomena in 3D☆14Mar 9, 2020Updated 5 years ago
- Crsytal simulation tools☆10Updated this week
- materials science related animations☆13Jan 9, 2025Updated last year
- The CHiMaD Phase Field Community Website☆64Aug 15, 2025Updated 6 months ago
- PXO (Poly-XTAL Operations). Generate, analyze and export complex 2D space partitions like metallic grain structures☆11Aug 10, 2021Updated 4 years ago
- Obtaining FE deformation histories for VPSC☆15May 14, 2016Updated 9 years ago
- Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density☆40Aug 12, 2024Updated last year
- Worked on a dataset of high entropy alloys which is used to design materials for additive manufacturing. Being responsible for Performing…☆18Aug 20, 2022Updated 3 years ago
- A high-performance software package for training and evaluating machine-learned XC functionals using the CIDER framework☆18Dec 14, 2025Updated 2 months ago
- Python script for numerical simulation of grain-growth during solidification of 3D printed metals☆17Mar 15, 2022Updated 3 years ago
- A fully automated approach to determine the melting temperature of crystalline materials☆20Jul 23, 2024Updated last year
- Aditive manufacturing framework☆12May 26, 2023Updated 2 years ago
- Phonons from ML force fields☆23Jul 7, 2025Updated 7 months ago
- Minimum-strain symmetrization of Bravais lattices☆18May 14, 2020Updated 5 years ago
- More efficient and faster version of pyscal☆28Jan 27, 2026Updated last month
- Python python toolset for Structure-Informed Property and Feature Engineering with Neural Networks. It offers unique advantages through (…☆24Jan 20, 2026Updated last month
- Generate symmetrized force constants☆26Updated this week
- Open Calphad, thermodynamic calculation code☆225Jan 23, 2026Updated last month
- plug-n-play black box optimizer for high-throughput computing☆51Mar 8, 2023Updated 2 years ago
- ☆25Aug 20, 2025Updated 6 months ago