JOSS Papers: first-principles

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published Published 4 months ago

SpinVibe: Simulating spin-phonon coupling for molecular qubits

Python Jupyter Notebook
@victorchanglee
10.21105/joss.09538
published Published over 2 years ago

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

Python
@savya10
10.21105/joss.05999
published Published over 2 years ago

easyunfold: A Python package for unfolding electronic band structures

Python
@zhubonan
10.21105/joss.05974
published Published over 6 years ago

PyZFS: A Python package for first-principles calculations of zero-field splitting tensors

Python
@hema-ted
10.21105/joss.02160
Displaying 4 papers

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ISSN 2475-9066