JOSS Papers: density-functional theory

All Papers
4083
 Published Papers
3706
 Active Papers
377
published Published about 5 years ago

J2suscep: Calculation of magnetic exchange coupling and temperature dependence of magnetic susceptibility

Fortran Awk
@Swetanshu
10.21105/joss.02838
published Published over 5 years ago

GIMS: Graphical Interface for Materials Simulations

Python JavaScript
@kokookster
10.21105/joss.02767
published Published almost 6 years 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 over 6 years ago

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

Python
@hema-ted
10.21105/joss.02160
published Published over 7 years ago

surfinpy: A Surface Phase Diagram Generator

Python
@symmy596
10.21105/joss.01210
published Published about 8 years ago

Galore: Broadening and weighting for simulation of photoelectron spectroscopy

Python Roff
@ajjackson
10.21105/joss.00773
Displaying papers 11 - 16 of 16 in total

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ISSN 2475-9066