giovannipizzi / SchrPoisson-2DMaterialsLinks
A Schrödinger-Poisson solver for 2D materials with 1D interfaces (wires)
☆21Updated 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
- Software to calculate magnetostriction coefficients and magnetoelastic constants☆19Updated 2 years 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…☆19Updated 2 months ago
- Julia codes to play with Phonons☆24Updated 7 years ago
- Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation☆19Updated last month
- Lecture materials for: Ab initio methods in solid state physics.☆25Updated last year
- First-principles calculated elastic and mechanical properties of 2D materials and their heterostructures☆16Updated last year
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆24Updated last year
- Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software☆14Updated last week
- Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis☆14Updated 7 months ago
- D3Q + thermal2☆26Updated last month
- Python modules for electron–phonon models☆37Updated last month
- many-body perturbation theory without empty states☆12Updated 7 years ago
- Repository for UCSD NANO 266 Quantum Mechanical Modelling of Materials☆22Updated 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
- Point symmetry analysis tool for theoretical chemistry objects☆21Updated last month
- Real-time TDDFT for Quantum-Espresso☆24Updated 2 years ago
- Density matrix embedding theory for periodic systems☆18Updated 4 years ago
- A Basic Symmetry Module (Python)☆17Updated last month
- ZMPO-DMRG: A Parallel Fock-Space ab DMRG code based on MPO for Quantum Chemistry Hamiltonian☆12Updated 6 years ago
- The quasiparticle self-consistent GW method in the PMT method (LAPW+LMTO+Lo).☆35Updated last month
- Draft for my book about implementing density functional theory☆20Updated 8 months ago
- Density Functional Theory in real space, for atoms, LDA and LSDA☆30Updated last month
- QE-GIPAW for Quantum-Espresso (official repository)☆39Updated 3 months ago
- Python scripts to manage and postprocess quantum espresso and yambo calculation.☆16Updated this week
- A framework to treat strongly correlated materials using beyond-DFT methods☆25Updated 5 years ago
- Semi-empirical tight-binding computation of the electronic structure of semiconductors☆14Updated last month
- Building tight-binding model for generic twisted graphene☆13Updated 4 years ago
- Python package for calculating thermodynamic potentials from first-principles calculations☆14Updated 2 years ago
- Magnetic critical temperature Calculator☆17Updated last year