aromanro / VQMCMolecule
Variational Quantum Monte Carlo for a molecule, using Fokker-Planck/Langevin approach
☆14Updated last year
Alternatives and similar repositories for VQMCMolecule:
Users that are interested in VQMCMolecule are comparing it to the libraries listed below
- Augmented Plane Waves (both APW and LAPW), band structure computation☆13Updated last year
- Scattering on a Lennard-Jones potential, cross-section computation.☆11Updated last year
- Solving Poisson equation using a spectral method, also introducing VTK which will probably be used for other projects☆16Updated last year
- A simple Density Matrix Renormalization Group program☆16Updated last year
- Semi-empirical tight-binding computation of the electronic structure of semiconductors☆14Updated last year
- 2D Fourier Transform of Nuclear Magnetic Resonance Imaging raw data, 3D visualization with VTK☆18Updated 2 months ago
- Density Functional Theory in real space, for atoms, LDA and LSDA☆30Updated last year
- A simple Time Evolving Block Decimation program☆10Updated 8 months ago
- Density Functional Theory with plane waves basis, applied on a 'quantum dot'. Volumetric visualization of orbitals with VTK☆24Updated 10 months ago
- A program implementing event driven molecular dynamics for hard smooth spheres, using OpenGL for displaying☆23Updated last year
- Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++☆20Updated last month
- Electric field lines and equipotentials using Runge-Kutta methods, including adaptive ones☆24Updated 7 months ago
- Competitive Lotka–Volterra equations, solved using Runge-Kutta methods. Four dimensional system.☆11Updated last year
- C++17 Wrapper for ScaLAPACK☆11Updated last year
- A Schrödinger-Poisson solver for 2D materials with 1D interfaces (wires)☆20Updated 3 years ago
- A program implementing Metropolis Monte Carlo for the 2D square-lattice Ising model and the spin block renormalization☆31Updated last year
- Some python workbooks with various topics from Computational Physics☆59Updated 2 years ago
- A modern C++ library for high-performance configuration interaction methods☆16Updated 2 months ago
- A modular electronic structure theory code☆21Updated 6 years ago
- Tight binding molecular dynamics code to model carbon structures (linear carbon chains, fullerenes, graphene, etc.)☆10Updated 7 years ago
- PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure Solver.☆22Updated this week
- Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation☆19Updated last year
- Multilayer Electromagnetic Solver for Heat transfer☆31Updated 4 years ago
- This repository contains teaching material for the Nuclear Structure course at Michigan State University. The link here gives access to t…☆15Updated 3 years ago
- Basic numerical tensor algebra library for distributed heterogeneous HPC platforms☆17Updated 2 years ago
- A collection of fortran modules and routines to support quantum many-body calculations, with a strong focus on Dynamical Mean-Field Theor…☆15Updated 4 months ago
- many-body perturbation theory without empty states☆12Updated 6 years ago
- gammcor code☆10Updated 2 months ago
- This repository mirrors the principal Gitlab repository of the Chebyshev Accelerated Subspace iteration Eigensolver. If you want to contr…☆17Updated 3 weeks ago
- Library for Green’s function based electronic structure theory calculations☆23Updated last week