SchNetPack - Deep Neural Networks for Atomistic Systems
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Sep 17, 2021 - Python
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condensed-matter
Here are 64 public repositories matching this topic...
Data mining for materials science
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Sep 17, 2021 - HTML
Course on topology in condensed matter
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Aug 18, 2021 - Python
WannierTools: An open-source software package for novel topological materials. Full documentation:
physics
tight-binding
condensed-matter
topological-numbers
topological-surface-states
wannier90
topological-materials
topological-insulator
weyl-semimetal
nodal-line
dirac-semimetal
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Sep 16, 2021 - Fortran
Scientific Python package for tight-binding calculations in solid state physics
python
construction
c-plus-plus
benchmark
flexible
gitter
physics
quantum-mechanics
doi
band-structure
tight-binding
scientific-computing
scipy
solid-state-physics
condensed-matter
plotting-functions
tight-binding-calculations
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Aug 30, 2020 - C++
Scientific Python toolbox for large scale tight-binding and electronic structure calculations (DFT and NEGF analysis)
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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Sep 16, 2021 - Python
Mirror of the Kwant project https://gitlab.kwant-project.org/kwant/kwant
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Jun 24, 2021 - Python
Exact diagonalization, Lehmann's representation, Two-particle Green's functions
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Sep 13, 2021 - C++
julia package for working with Keldysh Green's functions
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May 25, 2021 - Julia
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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Sep 18, 2021 - Python
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
Condensed matter physics, strong correlations, dual fermions
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Jun 9, 2020 - C++
A Julia code for performing variational Monte Carlo (VMC) simulations of determinantal wave functions
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Nov 16, 2017 - Julia
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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May 16, 2021 - C++
A collection of fortran modules and routines based on SciFortran used in my DMFT or CondMat numerical codes.
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Sep 8, 2021 - Fortran
Exact diagonalization of model Hamiltonians
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Apr 5, 2019 - Julia
A python 2.7+ and 3.4+ package for matrix product state decompositions in a data science context
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Sep 13, 2017 - Jupyter Notebook
Green's function DSL
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Oct 27, 2020 - C++
An Exact Diagonalization Code for the 1D & 2D Hubbard Model
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Updated
Nov 29, 2017 - C++
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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Sep 9, 2021 - C++
Augmented Plane Waves, band structure computation
quantum-mechanics
computational-physics
vtk
wxwidgets-applications
condensed-matter
schrodinger-equation
electronic-structure
electronic-structure-calculations
apw
vtk-applications
numerov
wx-widgets
condensed-matter-physics
augmented-plane-waves
lapw
numerov-method
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Nov 17, 2020 - C++
A Julia code for performing exact diagonalization of fractional quantum Hall systems
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May 10, 2018 - Jupyter Notebook
Material for the course Theories of Quantum Matter at the University of Cambridge
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Jul 12, 2021 - Jupyter Notebook
Quantum Jump Simulation with Matrix Product State based the the iTensor library
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Feb 1, 2020 - C++
Notes on Condensed Matter Fields Theory
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Nov 15, 2017 - TeX
A General Purpose Exact diagonalization library
quantum-mechanics
band-structure
quantum-chemistry
condensed-matter
exact-diagonalization
fractional-quantum-hall
strongly-correlated-systems
bose-hubbard
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Jul 22, 2019 - Jupyter Notebook
This is intended for storing my drafts of my works.
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May 15, 2020 - Mathematica
A python package to calculate thermal conductivity across molecular interfaces.
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Oct 21, 2019 - Python
Band structure computation using empirical pseudopotentials
chart
physics
eigen
wxwidgets
band-structure
computational-physics
vtk
solid-state-physics
condensed-matter
vtk-applications
pseudopotential
empirical-pseudopotentials
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Sep 9, 2021 - C++
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