JOSS Papers: atomic structure

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3873
 Published Papers
3284
 Active Papers
589
published Published 5 months 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 8 months ago

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

C++ C MLIR Python
@burgholzer
10.21105/joss.07478
published Published about 1 year ago

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

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

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

C
@PavelStishenko
10.21105/joss.05186
published Published about 6 years ago

pyscal: A python module for structural analysis of atomic environments

Python
@srmnitc
10.21105/joss.01824
Displaying 5 papers

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ISSN 2475-9066