Condensed Matter Physics Python Packages

pythtb

Python library for constructing and analyzing tight-binding models

erlab

Complete python workflow for Angle-Resolved Photoemission Spectroscopy (ARPES)

aiida-kkr

AiiDA plugin of the high-performance density functional theory code JuKKR (www.judft.de) for high-throughput electronic structure calculations.

aiida-fleur

AiiDA plugin of the high-performance density functional theory code FLEUR (www.judft.de) for high-throughput electronic structure calculations.

hofstadtertools

A Python package for analyzing the Hofstadter model.

spinspg

Python package for detecting spin space group on top of spglib

neighbormodels

A tool for building crystal lattice models with distance-dependent neighbor interactions.

arpespythontools

Explore, analyze, visualize Angle Resolved Photoemission Spectroscopy (ARPES) data.

piva

Interactive tools for the visualization and analysis of multidimensional photoemission data

thztools

Tools for terahertz time-domain spectroscopy (THz-TDS)

kernel-dynamics-viewer

Regime diagnostics for spatiotemporal kernels K(r,t), 1D-4D: transport × coherence classification, isotropic S(k,ω) via Hankel/spherical-Bessel, plus stateflow — a domain-agnostic trajectory layer. NumPy/SciPy only. pip install kernel-dynamics-viewer

wyckoff

A package for working with Wyckoff positions in crystallography

risb

Solve strongly correlated condensed matter systems. Fast and simple.

tightbinder

General purpose Slater-Koster tight-binding library for electronic structure calculations

aiida-spirit

AiiDA plugin for the spirit code

gigaanalysis

A toolbox for processing data that can be expressed as a dependent and independent variable.

hextof-processor

Hextof Offline Analyzer

dompap

Simulations of point-like particles in any dimension with any pair potential using Python.

spatialstats

Statistical routines to analyze the spatial structure of 2D and 3D spatial fields and particle distributions.

kappamin

A python3 code for calculations of the minimum limit to thermal conductivity

mpes

Distributed data processing routines for multidimensional photoemission spectroscopy (MPES)

pesfit

Distributed multicomponent lineshape fitting routines and benchmarks for multidimensional spectroscopy and spectral imaging

pyquestaal

Python class to interface with QUESTAAL Quantum codes which is a suite of electronic structure programs.