SchNetPack - Deep Neural Networks for Atomistic Systems
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Nov 26, 2024 - Python
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condensed-matter
Here are 75 public repositories matching this topic...
Data mining for materials science
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Dec 23, 2024 - HTML
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
molecular-dynamics density-functional-theory computational-chemistry scientific-computing drug-discovery quantum-chemistry awesome-list materials-informatics condensed-matter electronic-structure surrogate-models atomistic-machine-learning interatomic-potentials scientific-machine-learning materials-discovery computational-materials-science best-of-list ai4science
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Dec 26, 2024
Course on topology in condensed matter
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Jan 3, 2024 - Python
WannierTools: An open-source software package for novel topological materials. Full documentation:
physics tight-binding condensed-matter topological-numbers band-unfolding topological-surface-states wannier90 topological-materials topological-insulator weyl-semimetal nodal-line dirac-semimetal landau-level magnetoersistance surface-state wilson-loop wannier-charge-center
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Dec 13, 2024 - Fortran
Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
gulp dft geometry physics vasp density-functional-theory tight-binding graphene solid-state-physics condensed-matter negf siesta wannier90 solid-state transiesta tbtrans bigdft
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Dec 23, 2024 - Python
Scientific Python package for tight-binding calculations in solid state physics
quantum-mechanics band-structure tight-binding scientific-computing solid-state-physics condensed-matter
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Oct 15, 2023 - C++
Matbench: Benchmarks for materials science property prediction
data-science benchmark machine-learning chemistry physics machine-learning-algorithms materials-science condensed-matter
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Aug 20, 2024 - Python
Mirror of the Kwant project https://gitlab.kwant-project.org/kwant/kwant
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Jun 24, 2024 - Python
Exact diagonalization, Lehmann's representation, Two-particle Green's functions
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Nov 14, 2024 - C++
Error propagation and statistical analysis for Monte Carlo simulations in lattice QCD and statistical mechanics using autograd.
python correlation physics monte-carlo automatic-differentiation markov-chain autograd statistical-mechanics statistical-analysis data-analysis autocorrelation qcd particle-physics condensed-matter error-propagation lattice-field-theory lattice-qcd
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Dec 25, 2024 - Python
julia package for working with Keldysh Green's functions
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May 28, 2023 - Julia
A Julia code for performing exact diagonalization of fractional quantum Hall systems
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May 10, 2018 - Jupyter Notebook
Schrodinger-Poisson solver in 1D demonstrator
physics matlab quantum-mechanics quantum-computing fem solid-state-physics physics-simulation condensed-matter poisson poisson-equation semiconductor 1d schrodinger-equation newton-raphson schrodinger photonics schroedinger schroedinger-poisson optoelectronics schroedinger-solver
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Mar 22, 2021 - MATLAB
An Exact Diagonalization Code for the 1D & 2D Hubbard Model
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Dec 9, 2021 - C++
Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation
physics quantum-mechanics computational-physics vtk wxwidgets-applications condensed-matter schrodinger-equation electronic-structure electronic-structure-calculations vtk-applications kkr numerov wx-widgets condensed-matter-physics korringa-kohn-rostoker
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Feb 7, 2024 - C++
Condensed matter physics, strong correlations, dual fermions
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Feb 7, 2024 - C++
A quasi Monte Carlo inchworm impurity solver for multi-orbital models
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Nov 9, 2024 - Jupyter Notebook
A collection of fortran modules and routines to support quantum many-body calculations, with a strong focus on Dynamical Mean-Field Theory
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Dec 11, 2024 - Fortran
Semi-empirical tight-binding computation of the electronic structure of semiconductors
physics eigen wxwidgets band-structure tight-binding computational-physics vtk solid-state-physics wxwidgets-applications condensed-matter vtk-applications
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Feb 7, 2024 - C++
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