Carbon in silicon: Modeling of diffusion and clustering mechanisms R Pinacho, P Castrillo, M Jaraiz, I Martin-Bragado, J Barbolla, ... Journal of Applied Physics 92 (3), 1582-1587, 2002 | 208 | 2002 |

Experimental observation of conductance transients in metal-insulator-semiconductor structures S Dueñas, R Peláez, E Castan, R Pinacho, L Quintanilla, J Barbolla, ... Applied physics letters 71 (6), 826-828, 1997 | 58 | 1997 |

Physical atomistic kinetic Monte Carlo modeling of Fermi-level effects of species diffusing in silicon I Martin-Bragado, P Castrillo, M Jaraiz, R Pinacho, JE Rubio, J Barbolla Physical Review B 72 (3), 035202, 2005 | 43 | 2005 |

Modeling arsenic deactivation through arsenic-vacancy clusters using an atomistic kinetic Monte Carlo approach R Pinacho, M Jaraiz, P Castrillo, I Martin-Bragado, JE Rubio, J Barbolla Applied Physics Letters 86 (25), 252103, 2005 | 43 | 2005 |

Physical modeling and implementation scheme of native defect diffusion and interdiffusion in SiGe heterostructures for atomistic process simulation P Castrillo, R Pinacho, M Jaraiz, JE Rubio Journal of Applied Physics 109 (10), 103502, 2011 | 35 | 2011 |

Comprehensive model of damage accumulation in silicon KRC Mok, F Benistant, M Jaraiz, JE Rubio, P Castrillo, R Pinacho, ... Journal of Applied Physics 103 (1), 014911, 2008 | 31 | 2008 |

Modeling charged defects, dopant diffusion and activation mechanisms for TCAD simulations using kinetic Monte Carlo I Martin-Bragado, S Tian, M Johnson, P Castrillo, R Pinacho, J Rubio, ... Nuclear Instruments and Methods in Physics Research Section B: Beam …, 2006 | 29 | 2006 |

Mobile silicon di-interstitial: Surface, self-interstitial clustering, and transient enhanced diffusion phenomena I Martin-Bragado, M Jaraiz, P Castrillo, R Pinacho, J Barbolla, ... Physical Review B 68 (19), 195204, 2003 | 26 | 2003 |

Ion-beam amorphization of semiconductors: A physical model based on the amorphous pocket population KRC Mok, M Jaraiz, I Martin-Bragado, JE Rubio, P Castrillo, R Pinacho, ... Journal of applied physics 98 (4), 046104, 2005 | 24 | 2005 |

Sulfur hydrogen bonding in isolated monohydrates: Furfuryl mercaptan versus furfuryl alcohol M Juanes, A Lesarri, R Pinacho, E Charro, JE Rubio, L Enríquez, M Jaraíz Chemistry–A European Journal 24 (25), 6564-6571, 2018 | 21 | 2018 |

Fermi-level effects in semiconductor processing: A modeling scheme for atomistic kinetic Monte Carlo simulators I Martin-Bragado, P Castrillo, M Jaraiz, R Pinacho, JE Rubio, J Barbolla, ... Journal of applied physics 98 (5), 053709, 2005 | 21 | 2005 |

Atomistic front-end process modelling: a powerful tool for deep-submicron device fabrication M Jaraiz, P Castrillo, R Pinacho, I Martin-Bragado, J Barbolla Simulation of Semiconductor Processes and Devices 2001: SISPAD 01, 10-17, 2001 | 17 | 2001 |

Physically based modelling of damage, amorphization, and recrystallization for predictive device-size process simulation JE Rubio, M Jaraiz, I Martin-Bragado, R Pinacho, P Castrillo, J Barbolla Materials Science and Engineering: B 114, 151-155, 2004 | 16 | 2004 |

Atomistic modeling of defect diffusion and interdiffusion in SiGe heterostructures P Castrillo, M Jaraiz, R Pinacho, JE Rubio Thin Solid Films 518 (9), 2448-2453, 2010 | 13 | 2010 |

An Efficient Microkinetic Modeling Protocol: Start with Only the Dominant Mechanisms, Adjust All Parameters, and Build the Complete Model Incrementally M Jaraiz, JE Rubio, L Enriquez, R Pinacho, JL Lopez-Perez, A Lesarri ACS Catalysis 9 (6), 4804-4809, 2019 | 12 | 2019 |

A DFT-based computational-experimental methodology for synthetic chemistry: Example of application to the catalytic opening of epoxides by titanocene M Jaraiz, L Enriquez, R Pinacho, JE Rubio, A Lesarri, JL Lopez-Perez The Journal of organic chemistry 82 (7), 3760-3766, 2017 | 12 | 2017 |

Physically based modeling of dislocation loops in ion implantation processing in silicon P Castrillo, I Martin-Bragado, R Pinacho, M Jaraiz, JE Rubio, KRC Mok, ... Materials Science and Engineering: B 124, 404-408, 2005 | 11 | 2005 |

Ion implant simulations: Kinetic Monte Carlo annealing assessment of the dominant features I Martin-Bragado, M Jaraiz, P Castrillo, R Pinacho, JE Rubio, J Barbolla Applied physics letters 84 (24), 4962-4964, 2004 | 10 | 2004 |

Comprehensive, physically based modelling of As in Si R Pinacho, M Jaraiz, P Castrillo, JE Rubio, I Martin-Bragado, J Barbolla Materials Science and Engineering: B 114, 135-140, 2004 | 9 | 2004 |

Dominant iron gettering mechanism in silicon wafers W Lin, JL Benton, R Pinacho, DA Ramappa, W Henley Applied Physics Letters 77 (2), 241-243, 2000 | 9 | 2000 |