JOSS Papers: atomistics

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3541
 Published Papers
3081
 Active Papers
460
published Published about 1 month ago

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

Python
@alchem0x2a
10.21105/joss.07747
published Published about 2 months ago

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

Python Jupyter Notebook
@arkavo
10.21105/joss.07589
published Published 10 months ago

AQCNES: A Quasi-Continuum Non-Equilibrium Solver

Gnuplot Forth
@shasax
10.21105/joss.07068
published Published 11 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 over 1 year 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 1 year ago

matscipy: materials science at the atomic scale with Python

C++ C Meson Python Ruby
@pastewka
10.21105/joss.05668
published Published over 2 years ago

FitSNAP: Atomistic machine learning with LAMMPS

Python Cython C Jupyter Notebook
@rohskopf
10.21105/joss.05118
published Published almost 7 years ago

GB code: A grain boundary generation code

Python
@https://github.com/oekosheri
10.21105/joss.00900
Displaying 8 papers

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ISSN 2475-9066