☆13Dec 14, 2024Updated last year
Alternatives and similar repositories for Silicon_project
Users that are interested in Silicon_project are comparing it to the libraries listed below
Sorting:
- Description, readme and source-files for crystIT, a python based program to calculated complexity measures for crystal structures based o…☆16Dec 24, 2025Updated 2 months ago
- This GitHub repository contains additional information supporting published manuscripts☆19Sep 9, 2024Updated last year
- More efficient and faster version of pyscal☆28Jan 27, 2026Updated last month
- ☆12Apr 9, 2025Updated 10 months ago
- ☆14Jul 13, 2025Updated 7 months ago
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆24Dec 17, 2025Updated 2 months ago
- Random symmetric initialization of crystals☆25Jan 6, 2018Updated 8 years ago
- Heat-conductivity benchmark test for foundational machine-learning potentials☆30Jan 29, 2026Updated last month
- ☆11Sep 16, 2024Updated last year
- ☆13Apr 12, 2023Updated 2 years ago
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Jan 19, 2025Updated last year
- The discovery of novel functional materials with targeted properties remains a fundamental challenge in materials science. In this work, …☆25Dec 30, 2025Updated 2 months ago
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated 4 months ago
- 收集和整理适用于高熵合金分子动力学模拟的势函数。A set of interatomic potentials suitable for molecular dynamics simulations of high entropy alloys.☆38Dec 23, 2025Updated 2 months ago
- The Temperature Dependent Effective Potentials (TDEP) code☆100Feb 18, 2026Updated 2 weeks ago
- A 200-line Matlab implementation of the Atomistic Green's function (AGF) method for phonon transport☆28Feb 8, 2020Updated 6 years ago
- Tutorials on atomic simulations related to my research☆31Jun 30, 2022Updated 3 years ago
- Material structure processing software based on ASE (Atomic Simulation Environment)☆65Feb 25, 2026Updated last week
- TDEP Tutorials☆34Jun 1, 2025Updated 9 months ago
- Supplement files of paper "Thermodynamics of Water and Ice from a Fast and Scalable First-Principles Neuroevolution Potential"☆16Nov 5, 2023Updated 2 years ago
- Electron Transport (ELECTRA), open source code from the "GENESIS" project☆12Dec 3, 2025Updated 3 months ago
- Ab initio simulator for thermal transport and lattice anharmonicity☆186Feb 7, 2026Updated 3 weeks ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Jan 26, 2026Updated last month
- Local Environment-based Atomic Features☆13Dec 19, 2024Updated last year
- Deep Learning Potential model with Symmetry Invariant and Equivariant Descriptor☆18Jan 21, 2025Updated last year
- AICON2: A program for calculating transport properties quickly and accurately☆15Sep 25, 2023Updated 2 years ago
- Python package for enhancing VASP AIMD simulations and analysis☆13Jul 1, 2025Updated 8 months ago
- Automation of VASP DFT workflows with ASE - application scripts☆14May 24, 2023Updated 2 years ago
- ☆17May 12, 2025Updated 9 months ago
- An interactive viewer☆14Jun 17, 2020Updated 5 years ago
- ☆18Oct 8, 2025Updated 4 months ago
- Molecular dynamics package designed for the SIESTA DFT code.☆17Nov 10, 2025Updated 3 months ago
- DiffSyn: A Generative Diffusion Approach to Materials Synthesis Planning (Nature Computational Science, 2026)☆28Feb 10, 2026Updated 3 weeks ago
- Python Rapid Artificial Intelligence Ab Initio Molecular Dynamics☆25Aug 26, 2022Updated 3 years ago
- AMLP integrates dataset creation, input/output handling, and analysis for machine learning interatomic potentials. It supports Gaussian, …☆30Feb 23, 2026Updated last week
- JAX implementation of the NequIP neural network interatomic potential☆16Feb 24, 2026Updated last week
- potfit force-matching code☆42Feb 21, 2024Updated 2 years ago
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆75Nov 17, 2025Updated 3 months ago
- Deep Potential Evolution Accelerator☆22Updated this week