giovannipizzi / SchrPoisson-2DMaterialsLinks
A Schrödinger-Poisson solver for 2D materials with 1D interfaces (wires)
☆22Updated 3 years ago
Alternatives and similar repositories for SchrPoisson-2DMaterials
Users that are interested in SchrPoisson-2DMaterials are comparing it to the libraries listed below
Sorting:
- Demystify the undocumented Quantum ESPRESSO input/output☆12Updated last year
- The project represents a Python framework for computing the electron transport characteristics using the non-equilibrium Green's function…☆12Updated 6 years ago
- Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation☆19Updated 3 weeks ago
- CPLAP is a program designed to determine the thermodynamical stability of a material, and, if it is stable, to determine the ranges of th…☆18Updated 6 years ago
- Software to calculate magnetostriction coefficients and magnetoelastic constants☆17Updated 2 years ago
- First-principles calculated elastic and mechanical properties of 2D materials and their heterostructures☆16Updated last year
- D3Q + thermal2☆26Updated 3 weeks ago
- Python modules for electron–phonon models☆36Updated last week
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆24Updated last year
- Julia codes to play with Phonons☆24Updated 6 years ago
- Real-time TDDFT for Quantum-Espresso☆24Updated 2 years ago
- Lecture materials for: Ab initio methods in solid state physics.☆22Updated 10 months ago
- Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software☆13Updated 2 weeks ago
- A framework to treat strongly correlated materials using beyond-DFT methods☆25Updated 4 years ago
- many-body perturbation theory without empty states☆12Updated 7 years ago
- QE-GIPAW for Quantum-Espresso (official repository)☆37Updated last month
- A poor man's density functional theory program☆13Updated 11 months ago
- ☆29Updated 2 weeks ago
- Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis☆14Updated 4 months ago
- Density matrix embedding theory for periodic systems☆18Updated 3 years ago
- Density Functional Theory in real space, for atoms, LDA and LSDA☆30Updated last year
- Fundamentals and Applications of Density Functional Theory with Interactive Live Scripts and Intuitive Codes☆16Updated 5 months ago
- Monte Carlo Modeling of Secondary Electron Emission using fully DFT input☆17Updated 2 years ago
- The quasiparticle self-consistent GW method in the PMT method (LAPW+LMTO+Lo).☆33Updated last month
- Onsager coefficients for interstitial and vacancy-mediated diffusion☆13Updated 8 months ago
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆23Updated 5 years ago
- ☆20Updated 2 years ago
- High throughput workflow tools for characterizing 2D materials in VASP.☆22Updated 2 years ago
- Matlab Simulation Package for Ab-initio Real-space Calculations☆28Updated 10 months ago
- A Basic Symmetry Module (Python)☆17Updated 6 months ago