Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
-
Updated
Jul 15, 2024 - Python
Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
A quasi Monte Carlo inchworm impurity solver for multi-orbital models
Data mining for materials science
WannierTools: An open-source software package for novel topological materials. Full documentation:
SchNetPack - Deep Neural Networks for Atomistic Systems
Matbench: Benchmarks for materials science property prediction
Mirror of the Kwant project https://gitlab.kwant-project.org/kwant/kwant
Error propagation and statistical analysis for Markov chain Monte Carlo simulations in lattice QCD and statistical mechanics using autograd
A Massively Parallel Exact Diagonalization solver for generic Quantum Impurity problems.
spider for arXiv, physical review, Nature and its subjournals
A collection of fortran modules and routines to support quantum many-body calculations, with a strong focus on Dynamical Mean-Field Theory
A collection of non-interacting Tight Binding models, often used as a basis for interacting problem calculations.
Sedimention of active Brownian particles in a box. Codes for numerical simulations and numerical solution of PDEs.
Condensed matter physics, strong correlations, dual fermions
Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation
Augmented Plane Waves (both APW and LAPW), band structure computation
Semi-empirical tight-binding computation of the electronic structure of semiconductors
Band structure computation using empirical pseudopotentials
Exact diagonalization, Lehmann's representation, Two-particle Green's functions
Add a description, image, and links to the condensed-matter topic page so that developers can more easily learn about it.
To associate your repository with the condensed-matter topic, visit your repo's landing page and select "manage topics."