Bonding analysis of planar hypercoordinate atoms via the generalized BLW-LOL. - Laetitia Bomble; Stephan N. Steinmann; Nancy Perez-Peralta; Gabriel Merino; Clémence Corminboeuf (J. Comput. Chem., 2013)

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)

Efficient recursive least squares solver for rank-deficient matrices. - Ruben Staub; Stephan N. Steinmann (Appl. Math. Comput., 2021)

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)

Modeling the polychromism of oxide minerals: The case of alexandrite and cordierite. - Raphaël Rullan; Pauline Colinet; Quentin Desdion; Stephan N. Steinmann; Tangui Le Bahers (J. Comput. Chem., 2024)