JOSS Papers: atomic structure

All Papers
3530
 Published Papers
3066
 Active Papers
464
published Published 7 days ago

fastatomstruct: A High-Performance Library for Structural and Dynamical Analysis of Atomic Systems

Rust Jupyter Notebook Python
@nilsholle
10.21105/joss.08106
published Published 3 months ago

MQT Core: The Backbone of the Munich Quantum Toolkit (MQT)

C++ C MLIR Python
@burgholzer
10.21105/joss.07478
published Published 10 months ago

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

Python
@mzkhalid039
10.21105/joss.06895
published Published about 2 years ago

Atomic Simulation Interface (ASI): application programming interface for electronic structure codes

C
@PavelStishenko
10.21105/joss.05186
published Published over 5 years ago

pyscal: A python module for structural analysis of atomic environments

Python
@srmnitc
10.21105/joss.01824
Displaying 5 papers

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

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

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