aromanro / VQMCMoleculeLinks
Variational Quantum Monte Carlo for a molecule, using Fokker-Planck/Langevin approach
☆15Updated last month
Alternatives and similar repositories for VQMCMolecule
Users that are interested in VQMCMolecule are comparing it to the libraries listed below
Sorting:
- Solving Poisson equation using a spectral method, also introducing VTK which will probably be used for other projects☆16Updated last month
- ZMPO-DMRG: A Parallel Fock-Space ab DMRG code based on MPO for Quantum Chemistry Hamiltonian☆12Updated 6 years ago
- C++17 Wrapper for ScaLAPACK☆11Updated 2 years ago
- Density Functional Theory with plane waves basis, applied on a 'quantum dot'. Volumetric visualization of orbitals with VTK☆25Updated last month
- Topological Analysis for Molecular Systems☆17Updated 7 years ago
- Schrodinger-Poisson solver in 1D in the conduction band☆12Updated 4 years ago
- Semi-empirical tight-binding computation of the electronic structure of semiconductors☆13Updated last month
- Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++☆28Updated 3 weeks ago
- Library for Green’s function based electronic structure theory calculations☆28Updated 3 months ago
- SeQuant: Symbolic Algebra of Tensors over Operators and Scalars☆26Updated this week
- Density Functional Theory in real space, for atoms, LDA and LSDA☆30Updated last month
- Modules in Matlab to implement the Numerical Renormalization Group technique.☆17Updated 5 years ago
- 1D Schroedinger solver in semiconductor with effective mass☆13Updated 4 years ago
- Some python workbooks with various topics from Computational Physics☆64Updated 2 years ago
- A C++ linear algebra algebra focusing on tensor tree classes designed for quantum dynamics simulations and machine learning applications☆20Updated last year
- Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software☆14Updated last week
- PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure Solver.☆27Updated last week
- Computes the electronic band structure of Zinc Blende semiconductor☆15Updated 4 years ago
- A Schrödinger-Poisson solver for 2D materials with 1D interfaces (wires)☆21Updated 4 years ago
- Density matrix embedding theory for periodic systems☆18Updated 4 years ago
- Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation☆19Updated last month
- FLOSIC code is used for performing self-interaction corrected (SIC) density functional approximation calculations. Fermi Löwdin orbital i…☆17Updated 5 months ago
- The EXP-T program package is designed for high-precision modeling of molecular electronic structure using the relativistic Fock space mul…☆20Updated 8 months ago
- Matlab Simulation Package for Ab-initio Real-space Calculations☆28Updated 3 months ago
- Davidson eigensolver implemented in Fortran☆17Updated 6 years ago
- FerroX is a massively parallel, 3D phase-field simulation framework for modeling ferroelectric materials based scalable logic devices.