JOSS Papers: Materials science

Published Papers

published Published over 1 year ago

nimCSO: A Nim package for Compositional Space Optimization

Nim Python

10.21105/joss.06731

published Published over 1 year ago

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

Julia

10.21105/joss.07080

published Published over 1 year ago

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

C++ C

10.21105/joss.06714

published Published over 1 year ago

pylattica: a package for prototyping lattice models in chemistry and materials science

Python

10.21105/joss.06170

published Published over 1 year ago

ThermoParser: Streamlined Analysis of Thermoelectric Properties

Python

10.21105/joss.06340

published Published almost 2 years ago

doped: Python toolkit for robust and repeatable charged defect supercell calculations

Python Ruby Jupyter Notebook

10.21105/joss.06433

published Published about 2 years ago

PyTASER: Simulating transient absorption spectroscopy (TAS) for crystals from first principles

Python

10.21105/joss.05999

published Published about 2 years ago

matscipy: materials science at the atomic scale with Python

C++ C Meson Python Ruby

10.21105/joss.05668

published Published about 2 years ago

Foundry-ML - Software and Services to Simplify Access to Machine Learning Datasets in Materials Science

Python

10.21105/joss.05467

published Published about 2 years ago

pymatgen-analysis-defects: A Python package for analyzing point defects in crystalline materials

Python Jupyter Notebook

10.21105/joss.05941

Displaying papers 11 - 20 of 48 in total

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