JOSS Papers: Density Functional Theory

All Papers
1301
 Published Papers
1142
 Active Papers
159
published Published 9 days ago

GIMS: Graphical Interface for Materials Simulations

Python JavaScript
@kokookster
10.21105/joss.02767
published Published 3 months ago

matador: a Python library for analysing, curating and performing high-throughput density-functional theory calculations

Python
@ml-evs
10.21105/joss.02563
published Published 10 months ago

PyZFS: A Python package for first-principles calculations of zero-field splitting tensors

Python
@hema-ted
10.21105/joss.02160
published Published almost 2 years ago

surfinpy: A Surface Phase Diagram Generator

Python
@symmy596
10.21105/joss.01210
published Published over 2 years ago

Galore: Broadening and weighting for simulation of photoelectron spectroscopy

Python Roff
@ajjackson
10.21105/joss.00773
Displaying all 5 papers

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