WMD-group / StarryNight
Monte Carlo codes to simulate polar domains in hybrid perovskite solar cells
☆16Updated 5 years ago
Alternatives and similar repositories for StarryNight:
Users that are interested in StarryNight are comparing it to the libraries listed below
- Code to analyse thermodynamics of alloys through the generalized quasi-chemical approximation (GQCA)☆15Updated 5 years ago
- A collection of structures, force constants and phonon data obtained from first-principles calculations☆39Updated 4 years ago
- Calculate the required k-point density from the input geometry for periodic quantum chemistry calculations☆23Updated 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…☆15Updated 6 years ago
- Demystify the undocumented Quantum ESPRESSO input/output☆12Updated last year
- Calculates self-consistent Fermi level given defect formation energies and the density of states.☆11Updated 5 years ago
- Tight binding molecular dynamics code to model carbon structures (linear carbon chains, fullerenes, graphene, etc.)☆10Updated 7 years ago
- A collection of crystal structures from first-principles simulations☆27Updated 4 years ago
- many-body perturbation theory without empty states☆11Updated 6 years ago
- Julia codes to play with Phonons☆23Updated 6 years ago
- Scientific Python package for solving Slater Koster tight-binding topological hamiltonian☆48Updated last year
- Julia package to compute trap-assisted electron and hole capture in semiconductors☆56Updated 2 weeks ago
- Examples of using the Atomic Simulation Environment☆33Updated 9 years ago
- Arbitrary order exchange-correlation functional derivatives using JAX.☆22Updated 4 years ago
- A phonon irreducible representations calculator☆18Updated 10 months ago
- An offline corepresentation database and tool set for 1651 magnetic space groups.☆13Updated last year
- A CUDA-implementation of linear-scaling quantum transport methods☆26Updated last year
- Tutorial material for hands-on sessions (work in progress)☆23Updated 3 years ago
- A tool to read and operate OpenMX HKS (Kohn-Sham Hamiltonian) files☆15Updated 4 years ago
- Repository for UCSD NANO 266 Quantum Mechanical Modelling of Materials☆22Updated 3 months ago
- The project represents a Python framework for computing the electron transport characteristics using the non-equilibrium Green's function…☆12Updated 5 years ago
- ☆16Updated last year
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆22Updated last year
- ☆11Updated last year
- Python package to simulate differential absorption spectra of crystals from first principles☆25Updated last year
- Python Topological Materials (pytopomat) is a code for easy, high-throughput analysis of topological materials.☆28Updated 3 years ago
- The official repository of the oncvpsp code to generate optimized norm-conserving Vanderbilt pseudopotentials☆16Updated 8 months ago
- CAS based on sympy focusing on tensor and noncommutative algebras☆21Updated 3 weeks ago
- D3Q + thermal2☆25Updated last week
- A collection of files related to machine learning force fields☆21Updated last year