JOSS Papers: Atomistic Simulations

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4091
 Published Papers
3711
 Active Papers
380
published Published over 1 year ago

SPARC-X-API: Versatile Python Interface for Real-space Density Functional Theory Calculations

Python
@alchem0x2a
10.21105/joss.07747
published Published over 1 year ago

CUDA-METRO: Parallel Metropolis Monte Carlo for 2D Atomistic Spin Texture Simulation

Python Jupyter Notebook
@arkavo
10.21105/joss.07589
published Published about 2 years 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

Chitin Builder: a VMD tool for the generation of structures of chitin molecular crystals for atomistic simulations

Tcl Rich Text Format
@jfaraudo
10.21105/joss.05771
published Published over 2 years ago

matscipy: materials science at the atomic scale with Python

C++ C Meson Python Ruby
@pastewka
10.21105/joss.05668
published Published almost 8 years ago

GB code: A grain boundary generation code

Python
@https://github.com/oekosheri
10.21105/joss.00900
Displaying 6 papers

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ISSN 2475-9066