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23 search results found

Schnetpack ⭐ 688

SchNetPack - Deep Neural Networks for Atomistic Systems

Matminer ⭐ 422

Data mining for materials science

Topocm_content ⭐ 258

Course on topology in condensed matter

Wannier_tools ⭐ 232

WannierTools: An open-source software package for novel topological materials. Full documentation:

Best Of Atomistic Machine Learning ⭐ 203

🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.

Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations

Pybinding ⭐ 105

Scientific Python package for tight-binding calculations in solid state physics

Matbench ⭐ 88

Matbench: Benchmarks for materials science property prediction

Mirror of the Kwant project https://gitlab.kwant-project.org/kwant/kwant

Exact diagonalization, Lehmann's representation, Two-particle Green's functions

Pyerrors ⭐ 29

Error propagation and statistical analysis for Markov chain Monte Carlo simulations in lattice QCD and statistical mechanics using autograd

Keldysh.jl ⭐ 24

julia package for working with Keldysh Green's functions

Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation

Tightbinding ⭐ 11

Semi-empirical tight-binding computation of the electronic structure of semiconductors

Qinchworm.jl ⭐ 11

A quasi Monte Carlo inchworm impurity solver for multi-orbital models

Condensed matter physics, strong correlations, dual fermions

Hubbardmodel2d ⭐ 10

An Exact Diagonalization Code for the 1D & 2D Hubbard Model

Green's function DSL

Q_schrodingerpoisson1d_demo ⭐ 9

Schrodinger-Poisson solver in 1D demonstrator

Augmented Plane Waves (both APW and LAPW), band structure computation

Exactdiag.jl ⭐ 7

Exact diagonalization of model Hamiltonians

Tanalysis ⭐ 7

A python 2.7+ and 3.4+ package for matrix product state decompositions in a data science context

Quantumhalled.jl ⭐ 6

A Julia code for performing exact diagonalization of fractional quantum Hall systems

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