SPARC-X / M-SPARCLinks
Matlab Simulation Package for Ab-initio Real-space Calculations
☆28Updated 6 months ago
Alternatives and similar repositories for M-SPARC
Users that are interested in M-SPARC are comparing it to the libraries listed below
Sorting:
- SPMS table of pseudopotentials☆19Updated 2 years ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆24Updated last year
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆51Updated last week
- Educational code for Density Functional Theory and Quantum Monte Carlo with Python☆20Updated 6 years ago
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆48Updated 2 weeks ago
- Fundamentals and Applications of Density Functional Theory with Interactive Live Scripts and Intuitive Codes☆15Updated last month
- Simulation Package for Ab-initio Real-space Calculations☆78Updated this week
- ☆19Updated 3 weeks ago
- A classical Density Functional Theory code to calculate the properties of hard spheres or Lennard-Jones particles in planar geometry i.e.…☆16Updated 3 months ago
- Code for the Selected Columns of the Density Matrix suite of algorithms☆13Updated 6 years ago
- Massively parallel vibrational mode calculator.☆23Updated 9 months ago
- A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code☆19Updated 3 weeks ago
- D3Q + thermal2☆26Updated this week
- ☆20Updated last year
- Calculate thermodynamic properties of matter using phonon gas model (PGM)☆15Updated last year
- Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density☆38Updated 9 months ago
- Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020☆22Updated 4 years ago
- WEST code☆21Updated 2 months ago
- Lecture materials for: Ab initio methods in solid state physics.☆22Updated 5 months ago
- A poor man's density functional theory program☆13Updated 7 months ago
- phq: a Fortran code to compute phonon quasiparticle properties and dispersions☆14Updated 5 years ago
- ☆38Updated 5 years ago
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆42Updated 5 months ago
- PRinceton Orbital-Free Electronic Structure Software☆29Updated 4 years ago
- Python scripts to manage and postprocess quantum espresso and yambo calculation.☆16Updated last week
- The project represents a Python framework for computing the electron transport characteristics using the non-equilibrium Green's function…☆12Updated 6 years ago
- Pseudopotential converter from upf to psp8☆11Updated 2 years ago
- Real-time TDDFT for Quantum-Espresso☆24Updated last year
- A fully automated approach to determine the melting temperature of crystalline materials☆18Updated 10 months ago
- Pseudopotential Studio☆20Updated 4 years ago