JOSS Papers: Atomistic simulations

Published Papers

published Published 9 months ago

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

Python

10.21105/joss.07747

published Published 10 months ago

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

Python Jupyter Notebook

10.21105/joss.07589

published Published over 1 year ago

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

Python

10.21105/joss.06895

published Published about 2 years ago

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

Tcl Rich Text Format

10.21105/joss.05771

published Published about 2 years ago

matscipy: materials science at the atomic scale with Python

C++ C Meson Python Ruby

10.21105/joss.05668

published Published over 7 years ago

GB code: A grain boundary generation code

Python

@https://github.com/oekosheri

10.21105/joss.00900

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