JOSS Papers: computational materials science

All Papers
3128
 Published Papers
2799
 Active Papers
329
published Published 29 days ago

nimCSO: A Nim package for Compositional Space Optimization

Nim Python
@amkrajewski
10.21105/joss.06731
published Published about 2 months ago

AutoBZ.jl: Automatic, adaptive Brillouin zone integration using Wannier interpolation

Julia
@lxvm
10.21105/joss.07080
published Published 6 months ago

PAPRECA: A parallel hybrid off-lattice kinetic Monte Carlo/molecular dynamics simulator

C++ C
@sntioudis
10.21105/joss.06714
published Published about 1 year ago

brains-py, A framework to support research on energy-efficient unconventional hardware for machine learning

Python
@ualegre
10.21105/joss.05573
published Published about 1 year ago

The Generalized Green's function Cluster Expansion: A Python package for simulating polarons

Python
@matthewcarbone
10.21105/joss.05115
published Published over 1 year ago

Lightshow: a Python package for generating computational x-ray absorption spectroscopy input files

Python Jupyter Notebook
@matthewcarbone
10.21105/joss.05182
published Published over 1 year ago

spgrep: On-the-fly generator of space-group irreducible representations

Python
@lan496
10.21105/joss.05269
published Published about 2 years ago

smol: A Python package for cluster expansions and beyond

Python Cython
@lbluque
10.21105/joss.04504
published Published about 2 years ago

solid_dmft: gray-boxing DFT+DMFT materials simulations with TRIQS

PHP
@the-hampel
10.21105/joss.04623
published Published almost 4 years ago

GIMS: Graphical Interface for Materials Simulations

Python JavaScript
@kokookster
10.21105/joss.02767
Displaying papers 1 - 10 of 11 in total

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ISSN 2475-9066