JOSS Papers: materials science

All Papers
2050
 Published Papers
1838
 Active Papers
212
published Published 2 months ago

smol: A Python package for cluster expansions and beyond

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

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

PHP
@the-hampel
10.21105/joss.04623
published Published 5 months ago

Simmate: a framework for materials science

Dockerfile Python
@jacksund
10.21105/joss.04364
published Published 5 months ago

UnlockNN: Uncertainty quantification for neural network models of chemical systems

Python PureBasic
@a-ws-m
10.21105/joss.03700
published Published 5 months ago

Interface to high-performance periodic coupled-cluster theory calculations with atom-centered, localized basis functions

Fortran
@Evmoerman
10.21105/joss.04040
published Published over 1 year ago

coxeter: A Python package for working with shapes

Python Jupyter Notebook GLSL
@vyasr
10.21105/joss.03098
published Published over 1 year ago

IFermi: A python library for Fermi surface generation and analysis

Python
@utf
10.21105/joss.03089
published Published almost 2 years ago

polypy - Analysis Tools for Solid State Molecular Dynamics and Monte Carlo Trajectories

Python
@symmy596
10.21105/joss.02824
published Published almost 2 years ago

nap: A molecular dynamics package with parameter-optimization programs for classical and machine-learning potentials

M4 Python Fortran
@ryokbys
10.21105/joss.02768
published Published almost 2 years ago

GIMS: Graphical Interface for Materials Simulations

Python JavaScript
@kokookster
10.21105/joss.02767
Displaying papers 1 - 10 of 18 in total

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ISSN 2475-9066