https://github.com/atomistic-machine-learning/schnetpack

SchNetPack - Deep Neural Networks for Atomistic Systems

condensed-matter machine-learning molecular-dynamics neural-network quantum-chemistry

Last synced: 04 May 2025

https://github.com/hackingmaterials/matminer

Data mining for materials science

condensed-matter data-mining machine-learning materials-science matminer

Last synced: 04 May 2025

https://github.com/topocm/topocm_content

Course on topology in condensed matter

condensed-matter educational kwant python topology

Last synced: 27 Nov 2024

https://github.com/zerothi/sisl

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

bigdft condensed-matter density-functional-theory dft geometry graphene gulp negf physics siesta solid-state solid-state-physics tbtrans tight-binding transiesta vasp wannier90

Last synced: 15 May 2025

https://github.com/dean0x7d/pybinding

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

band-structure condensed-matter quantum-mechanics scientific-computing solid-state-physics tight-binding

Last synced: 05 Apr 2025

https://github.com/materialsproject/matbench

Matbench: Benchmarks for materials science property prediction

benchmark chemistry condensed-matter data-science machine-learning machine-learning-algorithms materials-science physics

Last synced: 05 Apr 2025

https://github.com/pomerol-ed/pomerol

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

c-plus-plus condensed-matter exact-diagonalization greens-functions hubbard physics pomerol quantum

Last synced: 30 Mar 2025

https://github.com/fjosw/pyerrors

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

autocorrelation autograd automatic-differentiation condensed-matter correlation data-analysis error-propagation lattice-field-theory lattice-gauge-theory lattice-qcd markov-chain monte-carlo particle-physics physics python qcd statistical-analysis statistical-mechanics

Last synced: 05 Apr 2025

https://github.com/kleinhenz/keldysh.jl

julia package for working with Keldysh Green's functions

condensed-matter julia physics

Last synced: 07 May 2025

https://github.com/aromanro/kkr

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

computational-physics condensed-matter condensed-matter-physics electronic-structure electronic-structure-calculations kkr korringa-kohn-rostoker numerov physics quantum-mechanics schrodinger-equation vtk vtk-applications wx-widgets wxwidgets-applications

Last synced: 18 Mar 2025

https://github.com/krivenko/qinchworm.jl

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

condensed-matter julia-package quantum-physics

Last synced: 07 May 2025

https://github.com/aamaricci/dmfttools

A collection of fortran modules and routines to support quantum many-body calculations, with a strong focus on Dynamical Mean-Field Theory

condensed-matter condmat-numerical-codes dmft fortran fortran-modules routines

Last synced: 06 Mar 2025

https://github.com/aromanro/tightbinding

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

band-structure computational-physics condensed-matter eigen physics solid-state-physics tight-binding vtk vtk-applications wxwidgets wxwidgets-applications

Last synced: 18 Mar 2025

https://github.com/aromanro/apw

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

apw augmented-plane-waves computational-physics condensed-matter condensed-matter-physics electronic-structure electronic-structure-calculations lapw numerov numerov-method quantum-mechanics schrodinger-equation vtk vtk-applications wx-widgets wxwidgets-applications

Last synced: 18 Mar 2025

https://github.com/garrison/exactdiag.jl

Exact diagonalization of model Hamiltonians

condensed-matter physics quantum

Last synced: 02 Mar 2025

https://github.com/aamaricci/tbmodels

A collection of non-interacting Tight Binding models, often used as a basis for interacting problem calculations.

condensed-matter fortran scientific-computing tight-binding tightbinding

Last synced: 06 Mar 2025

https://github.com/lemurpwned/vism

Software for visualising magnetic layers

animation condensed-matter condensed-phase-simulations oommf opengl python spintronics

Last synced: 13 Apr 2025

https://github.com/aromanro/empiricalpseudopotential

Band structure computation using empirical pseudopotentials

band-structure chart computational-physics condensed-matter eigen empirical-pseudopotentials physics pseudopotential solid-state-physics vtk vtk-applications wxwidgets

Last synced: 18 Mar 2025

https://github.com/pulkin/local-pyscf

Implementation of local algorithms within pyscf

atomic-physics condensed-matter local-algorithms many-body-physics materials-science numerical-physics perturbation-theory pyscf quantum-chemistry

Last synced: 13 Apr 2025

https://github.com/lemurpwned/pymag

GUI and engine for magnetic simulations

condensed-matter condensed-matter-physics magnetics simulation spintronics

Last synced: 29 Dec 2024

https://github.com/f-koehler/ieompp

Simulate the non-equilibrium dynamics of Fermionic systems

condensed-matter dynamics physics quantum-mechanics solid-state-physics

Last synced: 18 Feb 2025

https://github.com/guysoft/diagham

Port form svn repo of DiagHam from http://www.nick-ux.org/diagham/

condensed-matter diagonalization quantum quantum-dot quantum-hall-effect

Last synced: 20 Mar 2025

https://github.com/aamaricci/edipack2.0

A Massively Parallel Exact Diagonalization solver for generic Quantum Impurity problems.

condensed-matter dmft dynamical-mean-field-theory exact-diagonalization lanczos mpi strongly-correlated-systems

Last synced: 16 Jan 2025

https://github.com/santoshkumarradha/spin-model-perovskite

Calculations and results for paper TBD.

condensed-matter condensed-matter-physics dft physics quantum

Last synced: 28 Mar 2025

https://github.com/edipack/edipack2.0

A Massively Parallel Exact Diagonalization solver for generic Quantum Impurity problems.

condensed-matter dmft dynamical-mean-field-theory exact-diagonalization lanczos mpi strongly-correlated-systems

Last synced: 06 Mar 2025

https://github.com/cfbao/spin-chain-diagonalization

Fast exact diagonalization of translation-invariant spin chain

condensed-matter exact-diagonalization

Last synced: 05 Apr 2025

https://github.com/pranabdas/condmat-notes

🚧 Condensed Matter Physics notes

condensed-matter condensed-matter-physics lecture-notes notes physics solid-state-physics

Last synced: 07 May 2025

https://github.com/tomhodson/thesis

The content and build scripts for my thesis. It's about understanding large systems of quantum objects like electrons in matter. The build system uses Pandoc and many custom scripts to render to both PDF and HTML.

condensed-matter latex pandoc pandoc-filter physics

Last synced: 08 May 2025

https://github.com/krvajal/empiric-silicon

condensed-matter fortran physics

Last synced: 28 Mar 2025