matscipy: materials science at the atomic scale with Python

C++ C Meson Python Ruby Submitted 10 July 2023Published 28 January 2024

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Petr Grigorev (0000-0002-6409-9092), Lucas Frérot (0000-0002-4138-1052), Fraser Birks (0009-0008-9117-0393), Adrien Gola (0000-0002-5102-1931), Jacek Golebiowski (0000-0001-8053-8318), Jan Grießer (0000-0003-2149-6730), Johannes L. Hörmann (0000-0001-5867-695X), Andreas Klemenz (0000-0001-5677-5639), Gianpietro Moras (0000-0002-4623-2881), Wolfram G. Nöhring (0000-0003-4203-755X), Jonas A. Oldenstaedt (0000-0002-7475-3019), Punit Patel, Thomas Reichenbach (0000-0001-7477-6248), Thomas Rocke (0000-0002-4612-9112), Lakshmi Shenoy (0000-0001-5760-3345), Michael Walter (0000-0001-6679-2491), Simon Wengert (0000-0002-8008-1482), Lei Zhang (0000-0003-4414-7111), James R. Kermode (0000-0001-6755-6271), Lars Pastewka (0000-0001-8351-7336)


Grigorev et al., (2024). matscipy: materials science at the atomic scale with Python. Journal of Open Source Software, 9(93), 5668,

@article{Grigorev2024, doi = {10.21105/joss.05668}, url = {}, year = {2024}, publisher = {The Open Journal}, volume = {9}, number = {93}, pages = {5668}, author = {Petr Grigorev and Lucas Frérot and Fraser Birks and Adrien Gola and Jacek Golebiowski and Jan Grießer and Johannes L. Hörmann and Andreas Klemenz and Gianpietro Moras and Wolfram G. Nöhring and Jonas A. Oldenstaedt and Punit Patel and Thomas Reichenbach and Thomas Rocke and Lakshmi Shenoy and Michael Walter and Simon Wengert and Lei Zhang and James R. Kermode and Lars Pastewka}, title = {matscipy: materials science at the atomic scale with Python}, journal = {Journal of Open Source Software} }
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