TDEP: Temperature Dependent Effective Potentials

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

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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)


Knoop et al., (2024). TDEP: Temperature Dependent Effective Potentials. Journal of Open Source Software, 9(94), 6150,

@article{Knoop2024, doi = {10.21105/joss.06150}, url = {}, year = {2024}, publisher = {The Open Journal}, volume = {9}, number = {94}, pages = {6150}, author = {Florian Knoop and Nina Shulumba and Aloïs Castellano and J. P. Alvarinhas Batista and Roberta Farris and Matthieu J. Verstraete and Matthew Heine and David Broido and Dennis S. Kim and Johan Klarbring and Igor A. Abrikosov and Sergei I. Simak and Olle Hellman}, 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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