Molecular mechanics models for the image charge, a comment on "including image charge effects in the molecular dynamics simulations of molecules on metal surfaces". - Stephan N. Steinmann; Paul Fleurat-Lessard; Andreas W. Götz; Carine Michel 001; Rodrigo Ferreira de Morais; Philippe Sautet (J. Comput. Chem., 2017)

DockOnSurf: A Python Code for the High-Throughput Screening of Flexible Molecules Adsorbed on Surfaces. - Carles Martí; Sarah Blanck; Ruben Staub; Sophie Loehlé; Carine Michel 001; Stephan N. Steinmann (J. Chem. Inf. Model., 2021)

Machine Learning-Based Prediction of Activation Energies for Chemical Reactions on Metal Surfaces. - Daniel J. Hutton; Kari E. Cordes; Carine Michel 001; Florian Göltl (J. Chem. Inf. Model., 2023)

Theoretical study of structure sensitivity on ceria-supported single platinum atoms and its influence on carbon monoxide adsorption. - Antoine Salichon; Agustin Salcedo; Carine Michel 001; David Loffreda (J. Comput. Chem., 2024)