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SOFI: Finding point group symmetries in atomic clusters as finding the set of degenerate solutions in a shape-matching problem

The Journal of chemical physics, 2024-08, Vol.161 (6)

2024

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Exploring potential energy surfaces to reach saddle points above convex regions

The Journal of chemical physics, 2024-06, Vol.160 (23)

2024

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DFT-D study of adsorption of diaminoethane and propylamine molecules on anatase (101) TiO2 surface

Applied surface science, 2017-12, Vol.426, p.107-115

2017

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Collective dipole effects in ionic transport under electric fields

Nature communications, 2020-07, Vol.11 (1), p.3330-3330, Article 3330

2020

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A comprehensive theoretical picture of E centers in silicon: From optical properties to vacancy-mediated dopant diffusion

Journal of applied physics, 2020-02, Vol.127 (8)

2020

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Junction Leakage Random Telegraph Signals in Arrays of MOSFETs

IEEE electron device letters, 2021-11, Vol.42 (11), p.1650-1653

2021

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Strain-driven diffusion process during silicon oxidation investigated by coupling density functional theory and activation relaxation technique

The Journal of chemical physics, 2017-08, Vol.147 (5), p.054701-054701

2017

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MgO monolayer epitaxy on Ni (100)

Applied physics letters, 2017-11, Vol.111 (21)

2017

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Selective serotonin reuptake inhibitors and cytochrome P-450 mediated drug-drug interactions: an update

Current drug metabolism, 2002-02, Vol.3 (1), p.13-37

2002

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On the early stage of aluminum oxidation: an extraction mechanism via oxygen cooperation

The Journal of chemical physics, 2012-09, Vol.137 (9), p.094707-094707

2012

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Ultra-thin MgO(111)-polar sheets grown onto Ag(111)

Applied surface science, 2016-01, Vol.361, p.259-264

2016

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Clusters of Defects as a Possible Origin of Random Telegraph Signal in Imager Devices: a DFT based Study

2021 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD), 2021, p.128-132

2021

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Quantum Modeling of Semiconductors Leakage Currents Induced by Defects

2023 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD), 2023, p.141-144

2023

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Oxidation of Mg atomic monolayer onto silicon: A road toward MgOx/Mg2Si (11–1)/Si (100) heterostructure

Surface science, 2015-12, Vol.642, p.L1-L5

2015

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Implant heating contribution to amorphous layer formation: a KMC approach

2020 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD), 2020, p.43-46

2020

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Defect creation and Diffusion under electric fields from first-principles: the prototypical case of silicon dioxide

2019 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD), 2019, p.1-4

2019

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Oxidation of Germanium and Silicon surfaces (100): a comparative study through DFT methodology

IOP conference series. Materials Science and Engineering, 2012-12, Vol.41 (1), p.12007-10

2012

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Difficulty for oxygen to incorporate into the silicon network during initial O2 oxidation of Si(100)-(2x1)

The Journal of chemical physics, 2007-03, Vol.126 (11), p.114707-114707

2007

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Prediction of the evolution of defects induced by the heated implantation process: Contribution of kinetic Monte Carlo in a multi-scale modeling framework

Solid-state electronics, 2023-02, Vol.200, p.108521, Article 108521

2023

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Active oxidation: Silicon etching and oxide decomposition basic mechanisms using density functional theory

Surface science, 2007-05, Vol.601 (9), p.2082-2088

2007

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pARTn: A plugin implementation of the Activation Relaxation Technique nouveau that takes over the FIRE minimisation algorithm

Computer physics communications, 2024-02, Vol.295, p.108961, Article 108961

2024

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Defect generation during silicon oxidation: A Kinetic Monte Carlo study

Thin solid films, 2012-05, Vol.520 (14), p.4734-4740

2012

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Evidence of the Ge nonreactivity during the initial stage of SiGe oxidation

Applied physics letters, 2009-01, Vol.94 (4), p.041912-041912-3

2009

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Diffusion of oxygen atom in the topmost layer of the Si(1 0 0) surface: Structures and oxidation kinetics

Surface science, 2007-06, Vol.601 (11), p.2339-2343

2007

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Multi-scale modeling of oxygen molecule adsorption on a Si(1 0 0)- p(2 × 2) surface

Journal of non-crystalline solids, 2007-04, Vol.353 (5), p.594-598

2007

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SOFI: Finding point group symmetries in atomic clusters as finding the set of degenerate solutions in a shape-matching problem

Exploring potential energy surfaces to reach saddle points above convex regions

DFT-D study of adsorption of diaminoethane and propylamine molecules on anatase (101) TiO2 surface

Collective dipole effects in ionic transport under electric fields

A comprehensive theoretical picture of E centers in silicon: From optical properties to vacancy-mediated dopant diffusion

Junction Leakage Random Telegraph Signals in Arrays of MOSFETs

Strain-driven diffusion process during silicon oxidation investigated by coupling density functional theory and activation relaxation technique

MgO monolayer epitaxy on Ni (100)

Selective serotonin reuptake inhibitors and cytochrome P-450 mediated drug-drug interactions: an update

On the early stage of aluminum oxidation: an extraction mechanism via oxygen cooperation

Ultra-thin MgO(111)-polar sheets grown onto Ag(111)

Clusters of Defects as a Possible Origin of Random Telegraph Signal in Imager Devices: a DFT based Study

Quantum Modeling of Semiconductors Leakage Currents Induced by Defects

Oxidation of Mg atomic monolayer onto silicon: A road toward MgOx/Mg2Si (11–1)/Si (100) heterostructure

Implant heating contribution to amorphous layer formation: a KMC approach

Defect creation and Diffusion under electric fields from first-principles: the prototypical case of silicon dioxide

Oxidation of Germanium and Silicon surfaces (100): a comparative study through DFT methodology

Difficulty for oxygen to incorporate into the silicon network during initial O2 oxidation of Si(100)-(2x1)

Prediction of the evolution of defects induced by the heated implantation process: Contribution of kinetic Monte Carlo in a multi-scale modeling framework

Active oxidation: Silicon etching and oxide decomposition basic mechanisms using density functional theory

pARTn: A plugin implementation of the Activation Relaxation Technique nouveau that takes over the FIRE minimisation algorithm

Defect generation during silicon oxidation: A Kinetic Monte Carlo study

Evidence of the Ge nonreactivity during the initial stage of SiGe oxidation

Diffusion of oxygen atom in the topmost layer of the Si(1 0 0) surface: Structures and oxidation kinetics

Multi-scale modeling of oxygen molecule adsorption on a Si(1 0 0)- p(2 × 2) surface

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