vanceeasleaf / acesLinks
A wrapper for many computational codes of thermal conductivity
☆27Updated 3 years ago
Alternatives and similar repositories for aces
Users that are interested in aces are comparing it to the libraries listed below
Sorting:
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆56Updated 2 weeks ago
- A Python library to calculate elastic properties of materials.☆59Updated 6 months ago
- ☆27Updated last year
- A collection of command line utilities for manipulating VASP input / outpu☆25Updated 3 years ago
- Crsytal simulation tools☆10Updated last week
- A software to calculate thermal conductivity quickly and accurately☆35Updated 5 years ago
- ☆21Updated last year
- Python scripts to manage and postprocess quantum espresso and yambo calculation.☆17Updated last week
- MAterials Simulation Toolkit for use with pymatgen☆17Updated last year
- A physics computational framework for python and ipython☆39Updated 6 months ago
- Julia codes to play with Phonons☆24Updated 7 years ago
- A module for ASE for elastic constants calculation.☆47Updated last month
- A collection of structures, force constants and phonon data obtained from first-principles calculations☆41Updated 5 years ago
- A MATlab toolkit for LAttice DYnamics calculations based on empirical potentials☆10Updated 6 years ago
- Provides some useful information and the LAMMPS input files to model a polymer-metal interface.☆39Updated 4 years ago
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆92Updated 2 months ago
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆72Updated 8 months ago
- Onsager coefficients for interstitial and vacancy-mediated diffusion☆14Updated last year
- The quasiparticle self-consistent GW method in the PMT method (LAPW+LMTO+Lo).☆35Updated 2 weeks ago
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆19Updated 2 months ago
- D3Q + thermal2☆26Updated 3 months ago
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆58Updated 2 years ago
- A tool for creating and manipulating tight-binding models.☆41Updated 11 months ago
- Fluid-phase Free-energy Calculation package for LAMMPS☆29Updated 4 years ago
- A code to simulate linearized phonon transport☆15Updated 8 years ago
- DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …☆22Updated 9 months ago
- First-principles calculated elastic and mechanical properties of 2D materials and their heterostructures☆16Updated last year
- Tools for phase field crystal modeling of two-dimensional materials.☆19Updated 6 years ago
- First-principles statistical mechanical software for the study of multi-component crystalline solids☆124Updated 2 years ago
- Python modules for electron–phonon models☆38Updated 2 weeks ago