JOSS Papers: computational materials science

Published Papers

published Published 3 months ago

MaterForge: Materials Formulation Engine with Python

C++ Python

10.21105/joss.09909

published Published 9 months ago

The Alamo multiphysics solver for phase field simulations with strong-form mechanics and block structured adaptive mesh refinement

Roff Python C++

10.21105/joss.08581

published Published almost 2 years ago

nimCSO: A Nim package for Compositional Space Optimization

Nim Python

10.21105/joss.06731

published Published almost 2 years ago

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

Julia

10.21105/joss.07080

published Published about 2 years ago

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

C++ C

10.21105/joss.06714

published Published almost 3 years ago

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

Python

10.21105/joss.05573

published Published almost 3 years ago

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

Python

@matthewcarbone

10.21105/joss.05115

published Published about 3 years ago

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

Python Jupyter Notebook

@matthewcarbone

10.21105/joss.05182

published Published about 3 years ago

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

Python

10.21105/joss.05269

published Published almost 4 years ago

smol: A Python package for cluster expansions and beyond

Python Cython

10.21105/joss.04504

Displaying papers 1 - 10 of 13 in total

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