Benchmarking LAMMPS: Sensitivity to Task Location Under CPU-Based Weak-Scaling. - José A. Moríñigo; Pablo García-Muller; Antonio J. Rubio-Montero; Antonio Gómez-Iglesias; Norbert Meyer; Rafael Mayo-García (CARLA, 2018)

A Combined Classical Molecular Dynamics Simulations and AB Initio Calculations Approach to Study A-SI: H/C-SI Interfaces. - Francesco Buonocore; Simone Giusepponi; Massimo Celino; Pablo Luis García-Muller; Rafael Mayo García (WSC, 2020)

Performance drop at executing communication-intensive parallel algorithms. - José A. Moríñigo; Pablo García-Muller; Antonio J. Rubio-Montero; Antonio Gómez-Iglesias; Norbert Meyer; Rafael Mayo García (J. Supercomput., 2020)

Non-Equilibrium Green Functions Approach to Study Transport Through a-Si: H/c-Si Interfaces. - Alessandro Pecchia; Francesco Buonocore; Massimo Celino; Simone Giusepponi; Edoardo Di Napoli; Sebastian Achilles; Pablo Luis García-Muller; Rafael Mayo-García (WSC, 2021)