JOSS Papers: Materials Science

All Papers
2968
 Published Papers
2653
 Active Papers
315
published Published 3 months ago

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

C++ C
@sntioudis
10.21105/joss.06714
published Published 4 months ago

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

Python
@mcgalcode
10.21105/joss.06170
published Published 4 months ago

ThermoParser: Streamlined Analysis of Thermoelectric Properties

Python
@kbspooner
10.21105/joss.06340
published Published 5 months ago

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

Python Ruby Jupyter Notebook
@kavanase
10.21105/joss.06433
published Published 7 months ago

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

Python
@savya10
10.21105/joss.05999
published Published 8 months ago

matscipy: materials science at the atomic scale with Python

C++ C Meson Python Ruby
@pastewka
10.21105/joss.05668
published Published 8 months ago

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

Python
@blaiszik
10.21105/joss.05467
published Published 8 months ago

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

Python Jupyter Notebook
@jmmshn
10.21105/joss.05941
published Published 8 months ago

easyunfold: A Python package for unfolding electronic band structures

Python
@zhubonan
10.21105/joss.05974
published Published 9 months ago

FlowerMD: Flexible Library of Organic Workflows and Extensible Recipes for Molecular Dynamics

Python Jupyter Notebook
@marjanalbouye
10.21105/joss.05989
Displaying papers 1 - 10 of 36 in total

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ISSN 2475-9066