JOSS Papers: Crystals

Published Papers

published Published 5 months ago

Open Computational Chemistry (OCC) - A portable software library and program for quantum chemistry and crystallography

C++ C

10.21105/joss.09609

published Published 6 months ago

PyDislocDyn: A Python code for calculating dislocation drag and other crystal properties

Python Fortran Jupyter Notebook

@dblaschke-LANL

10.21105/joss.09309

published Published 7 months ago

Elasticipy: A Python package for linear elasticity and tensor analysis

Jupyter Notebook Python

@DorianDepriester

10.21105/joss.07940

published Published about 1 year ago

LCOI: Local crystalline orientation identifier using mask fitting implemented in MATLAB

MATLAB

10.21105/joss.07748

published Published over 1 year ago

A Python Library for Pre- and Post-Processing of DAMASK Simulations

Python Fortran

10.21105/joss.07164

published Published over 1 year ago

cifkit: A Python package for coordination geometry and atomic site analysis

Python Jupyter Notebook

10.21105/joss.07205

published Published almost 2 years ago

pyQCM-BraTaDio: A tool for visualization, data mining, and modelling of Quartz crystal microbalance with dissipation data

Python

10.21105/joss.06831

published Published about 2 years ago

ComFiT: a Python library for computational field theory with topological defects

Python Jupyter Notebook

10.21105/joss.06599

published Published about 2 years ago

matbench-genmetrics: A Python library for benchmarking crystal structure generative models using time-based splits of Materials Project structures

Jupyter Notebook Mathematica Python

10.21105/joss.05618

published Published over 2 years ago

PyTASER: Simulating transient absorption spectroscopy (TAS) for crystals from first principles

Python

10.21105/joss.05999

Displaying papers 1 - 10 of 16 in total

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