JOSS Papers: Materials science

All Papers
2106
 Published Papers
1902
 Active Papers
204
published Published 4 months ago

smol: A Python package for cluster expansions and beyond

Python Cython
@lbluque
10.21105/joss.04504
published Published 5 months ago

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

PHP
@the-hampel
10.21105/joss.04623
published Published 7 months ago

Simmate: a framework for materials science

Dockerfile Python
@jacksund
10.21105/joss.04364
published Published 7 months ago

UnlockNN: Uncertainty quantification for neural network models of chemical systems

Python PureBasic
@a-ws-m
10.21105/joss.03700
published Published 8 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 almost 2 years 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 about 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 about 2 years ago

GIMS: Graphical Interface for Materials Simulations

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

Journal of Open Source Software is an affiliate of the Open Source Inititative.

Journal of Open Source Software is part of Open Journals, which is a NumFOCUS-sponsored project.

Public user content licensed CC BY 4.0 unless otherwise specified.
ISSN 2475-9066