JOSS Papers: material structure

Published Papers

published Published 7 months ago

cifkit: A Python package for coordination geometry and atomic site analysis

Python Jupyter Notebook

10.21105/joss.07205

published Published 8 months ago

AutoBZ.jl: Automatic, adaptive Brillouin zone integration using Wannier interpolation

Julia

10.21105/joss.07080

published Published 10 months ago

DWBuilder: A code to generate ferroelectric/ferroelastic domain walls and multi-material atomic interface structures

Python

10.21105/joss.06895

published Published 10 months ago

f3dasm: Framework for Data-Driven Design and Analysis of Structures and Materials

Python

@mpvanderschelling

10.21105/joss.06912

published Published about 1 year ago

matbench-genmetrics: A Python library for benchmarking crystal structure generative models using time-based splits of Materials Project structures

Jupyter Notebook Mathematica Python

10.21105/joss.05618

published Published about 1 year ago

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

Python Ruby Jupyter Notebook

10.21105/joss.06433

published Published over 2 years ago

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

PHP

10.21105/joss.04623

published Published almost 3 years ago

xtal2png: A Python package for representing crystal structure as PNG files

Mathematica Python

10.21105/joss.04528

published Published over 4 years ago

IFermi: A python library for Fermi surface generation and analysis

Python

10.21105/joss.03089

published Published over 4 years ago

GIMS: Graphical Interface for Materials Simulations

Python JavaScript

10.21105/joss.02767

Displaying papers 1 - 10 of 14 in total

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