IRA: A Shape Matching Approach for Recognition and Comparison of Generic Atomic Patterns. - Miha Gunde; Nicolas Salles; Anne Hémeryck; Layla Martin-Samos (J. Chem. Inf. Model., 2021)

Iterative Rotations and Assignments (IRA): A shape matching algorithm for atomic structures. - Miha Gunde; Nicolas Salles; Anne Hémeryck; Layla Martin-Samos (Softw. Impacts, 2022)

pARTn: A plugin implementation of the Activation Relaxation Technique nouveau that takes over the FIRE minimisation algorithm. - M. Poberznik; Miha Gunde; Nicolas Salles; A. Jay; A. Hemeryck; N. Richard; N. Mousseau; Layla Martin-Samos (Comput. Phys. Commun., 2024)