Bilal Chehaibou, Michael Badawi, Tomáš Bučko, Timur Bazhirov, Dario Rocca. Computing RPA Adsorption Enthalpies by Machine Learning Thermodynamic Perturbation Theory.
Journal of Chemical Theory and Computation, American Chemical Society, 2019, 15 (11), pp.6333-6342.
⟨10.1021/acs.jctc.9b00782⟩.
⟨hal-03603264⟩