List of works - Sébastien Lebègue - Paulina

List of works by Sébastien Lebègue

Assessing the Accuracy of Machine Learning Thermodynamic Perturbation Theory: Density Functional Theory and Beyond

scientific article published on 22 February 2022

Grafting of iron on amorphous silica surfaces from ab initio calculations

scientific article published on 01 June 2020

Rational approach for an optimized formulation of silver-exchanged zeolites for iodine capture from first-principles calculations

scientific article published in 2022

Structure and Energetics of Dye-Sensitized NiO Interfaces in Water from Ab Initio MD and Large-Scale GW Calculations

scientific article published on 29 July 2021

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