aromanro / DFTQuantumDotLinks
Density Functional Theory with plane waves basis, applied on a 'quantum dot'. Volumetric visualization of orbitals with VTK
☆25Updated last month
Alternatives and similar repositories for DFTQuantumDot
Users that are interested in DFTQuantumDot are comparing it to the libraries listed below
Sorting:
- Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++☆28Updated 3 weeks ago
- Density Functional Theory in real space, for atoms, LDA and LSDA☆30Updated last month
- Hartree-Fock C++ code☆34Updated last month
- Solving Poisson equation using a spectral method, also introducing VTK which will probably be used for other projects☆16Updated last month
- A poor man's density functional theory program☆14Updated last week
- A program implementing event driven molecular dynamics for hard smooth spheres, using OpenGL for displaying☆24Updated last month
- SeQuant: Symbolic Algebra of Tensors over Operators and Scalars☆26Updated this week
- Qball (also known as qb@ll) is a first-principles molecular dynamics code that is used to compute the electronic structure of atoms, mole…☆45Updated last year
- Library for Green’s function based electronic structure theory calculations☆28Updated 3 months ago
- ☆22Updated last month
- Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation☆19Updated last month
- Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software☆14Updated this week
- A modern C++ library for high-performance configuration interaction methods☆19Updated last week
- ElATools: A tool for analyzing anisotropic elastic properties of the 2D and 3D materials☆54Updated 4 months ago
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆55Updated this week
- Basic Tensor Algebra Subroutines☆48Updated 5 months ago
- DFT-FE: Real-space DFT calculations using Finite Elements☆153Updated 2 weeks ago
- Developer repository for the LATTE code☆49Updated this week
- QE-GIPAW for Quantum-Espresso (official repository)☆39Updated 2 weeks ago
- ☆25Updated 3 months ago
- Atomistic Spin Simulation Framework☆137Updated 3 months ago
- MGmol is a scalable O(N) First-Principles Molecular Dynamics code that is capable of performing large-scale electronics structure calcula…☆44Updated last week
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆56Updated 3 weeks ago
- Massively parallel software for quantum chemistry calculations☆18Updated 3 years ago
- Computational Physics codes☆64Updated 3 years ago
- Code generator for simint vectorized integrals☆29Updated 2 years ago
- Reference implementation of GW☆13Updated 6 years ago
- Tensor Algebra for many-body methods☆19Updated last week
- A C++ linear algebra algebra focusing on tensor tree classes designed for quantum dynamics simulations and machine learning applications☆20Updated last year
- A Monte Carlo molecular simulation software especially suited for materials simulations with polarizable models☆51Updated 3 months ago