TDEP: Temperature Dependent Effective Potentials

Fortran C++ Submitted 25 October 2023Published 01 February 2024
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Authors

Florian Knoop (0000-0002-7132-039X), Nina Shulumba (0000-0002-2374-7487), Aloïs Castellano (0000-0002-8783-490X), J. P. Alvarinhas Batista (0000-0002-3314-249X), Roberta Farris (0000-0001-6710-0100), Matthieu J. Verstraete (0000-0001-6921-5163), Matthew Heine (0000-0002-4882-6712), David Broido (0000-0003-0182-4450), Dennis S. Kim (0000-0002-5707-2609), Johan Klarbring (0000-0002-6223-5812), Igor A. Abrikosov (0000-0001-7551-4717), Sergei I. Simak (0000-0002-1320-389X), Olle Hellman (0000-0002-3453-2975)

Citation

Knoop et al., (2024). TDEP: Temperature Dependent Effective Potentials. Journal of Open Source Software, 9(94), 6150, https://doi.org/10.21105/joss.06150

@article{Knoop2024, doi = {10.21105/joss.06150}, url = {https://doi.org/10.21105/joss.06150}, year = {2024}, publisher = {The Open Journal}, volume = {9}, number = {94}, pages = {6150}, author = {Knoop, Florian and Shulumba, Nina and Castellano, Aloïs and Batista, J. P. Alvarinhas and Farris, Roberta and Verstraete, Matthieu J. and Heine, Matthew and Broido, David and Kim, Dennis S. and Klarbring, Johan and Abrikosov, Igor A. and Simak, Sergei I. and Hellman, Olle}, title = {TDEP: Temperature Dependent Effective Potentials}, journal = {Journal of Open Source Software} }
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Physics Phonons Temperature Anharmonicity Thermal transport Neutron spectroscopy Raman spectroscopy

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