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Simulation of Single-Particle Displacement Damage in Silicon—Part III: First Principle Characterization of Defect Properties

IEEE transactions on nuclear science, 2018-02, Vol.65 (2), p.724-731

2018

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Ambient Humidity Influence on CO Detection with SnO2 Gas Sensing Materials. A Combined DRIFTS/DFT Investigation

Journal of physical chemistry. C, 2017-11, Vol.121 (45), p.25064-25073

2017

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Synthesis, Structural Studies, Theoretical Calculations, and Linear and Nonlinear Optical Properties of Terpyridyl Lanthanide Complexes: New Evidence for the Contribution of f Electrons to the NLO Activity

Journal of the American Chemical Society, 2006-09, Vol.128 (37), p.12243-12255

2006

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Enhancing DFT-based energy landscape exploration by coupling quantum mechanics and static modes

Physical chemistry chemical physics : PCCP, 2022-05, Vol.24 (19), p.1211-1226

2022

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IRA: A Shape Matching Approach for Recognition and Comparison of Generic Atomic Patterns

Journal of chemical information and modeling, 2021-11, Vol.61 (11), p.5446-5457

2021

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Parametric study of the Two-Temperature Model for Molecular Dynamics simulations of collisions cascades in Si and Ge

Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms, 2020-12, Vol.485, p.1-9

2020

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Coping with the stochasticity of collision cascades in Molecular Dynamics simulations

Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms, 2021-08, Vol.500-501, p.1-9

2021

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Simulation of Single Particle Displacement Damage in Silicon-Part II: Generation and Long-Time Relaxation of Damage Structure

IEEE transactions on nuclear science, 2017-01, Vol.64 (1), p.141-148

2017

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Role of Alumina Coatings for Selective and Controlled Bonding of DNA on Technologically Relevant Oxide Surfaces

Journal of physical chemistry. C, 2015-10, Vol.119 (41), p.23527-23543

2015

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Finding Reaction Pathways and Transition States: r‑ARTn and d‑ARTn as an Efficient and Versatile Alternative to String Approaches

Journal of chemical theory and computation, 2020-10, Vol.16 (10), p.6726-6734

2020

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Insight into the Bonding of Silanols to Oxidized Aluminum Surfaces

Journal of physical chemistry. C, 2018-05, Vol.122 (17), p.9417-9431

2018

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HCHO Sensing Mechanism of In4Sn3O12 Revealed by DRIFTS and DFT

Journal of physical chemistry. C, 2023-06, Vol.127 (22), p.10499-10507

2023

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Growth of BiSb on GaAs (001) and (111)A surfaces: A joint experimental and theoretical study

Applied surface science, 2023-06, Vol.622, p.156688, Article 156688

2023

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Simulation of Single Particle Displacement Damage in Si₁₋ₓGeₓ Alloys-Interaction of Primary Particles With the Material and Generation of the Damage Structure

IEEE transactions on nuclear science, 2020-07, Vol.67 (7), p.1273-1283

2020

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Neutron Displacement Damage Cross Section in GaN: Numerical Evaluations and Differences With Si

IEEE transactions on nuclear science, 2023-08, Vol.70 (8), p.1870-1877

2023

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Elementary Surface Chemistry during CuO/Al Nanolaminate-Thermite Synthesis: Copper and Oxygen Deposition on Aluminum (111) Surfaces

ACS applied materials & interfaces, 2014-09, Vol.6 (17), p.15086-15097

2014

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Dioxygen molecule adsorption and oxygen atom diffusion on clean and defective aluminum(111) surface using first principles calculations

Surface science, 2017-03, Vol.657, p.79-89

2017

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Thermal Water Splitting on the WO3 Surface: Experimental Proof

ACS applied electronic materials, 2020-10, Vol.2 (10), p.3254-3262

2020

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A comprehensive atomistic picture of the as-deposited Ni-Si interface before thermal silicidation process

Applied surface science, 2023-09, Vol.631, p.157563, Article 157563

2023

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HCHO Sensing Mechanism of In 4 Sn 3 O 12 Revealed by DRIFTS and DFT

Journal of physical chemistry. C, 2023-06, Vol.127 (22), p.10499-10507

2023

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Activation–Relaxation Technique: An efficient way to find minima and saddle points of potential energy surfaces

Computational materials science, 2022-06, Vol.209, p.111363, Article 111363

2022

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Deep Levels and Electron Paramagnetic Resonance Parameters of Substitutional Nitrogen in Silicon from First Principles

Nanomaterials (Basel, Switzerland), 2023-07, Vol.13 (14), p.2123

2023

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Water Distribution within Wild-Type NRas Protein and Q61 Mutants during Unrestrained QM/MM Dynamics

Biophysical journal, 2018-10, Vol.115 (8), p.1417-1430

2018

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Iterative Rotations and Assignments (IRA): A shape matching algorithm for atomic structures

Software impacts, 2022-05, Vol.12, p.100264, Article 100264

2022

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Obituary - Dr. Fuccio Cristiano

Materials science in semiconductor processing, 2024-06, Vol.175, p.108270, Article 108270

2024

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Simulation of Single-Particle Displacement Damage in Silicon—Part III: First Principle Characterization of Defect Properties

Ambient Humidity Influence on CO Detection with SnO2 Gas Sensing Materials. A Combined DRIFTS/DFT Investigation

Synthesis, Structural Studies, Theoretical Calculations, and Linear and Nonlinear Optical Properties of Terpyridyl Lanthanide Complexes: New Evidence for the Contribution of f Electrons to the NLO Activity

Enhancing DFT-based energy landscape exploration by coupling quantum mechanics and static modes

IRA: A Shape Matching Approach for Recognition and Comparison of Generic Atomic Patterns

Parametric study of the Two-Temperature Model for Molecular Dynamics simulations of collisions cascades in Si and Ge

Coping with the stochasticity of collision cascades in Molecular Dynamics simulations

Simulation of Single Particle Displacement Damage in Silicon-Part II: Generation and Long-Time Relaxation of Damage Structure

Role of Alumina Coatings for Selective and Controlled Bonding of DNA on Technologically Relevant Oxide Surfaces

Finding Reaction Pathways and Transition States: r‑ARTn and d‑ARTn as an Efficient and Versatile Alternative to String Approaches

Insight into the Bonding of Silanols to Oxidized Aluminum Surfaces

HCHO Sensing Mechanism of In4Sn3O12 Revealed by DRIFTS and DFT

Growth of BiSb on GaAs (001) and (111)A surfaces: A joint experimental and theoretical study

Simulation of Single Particle Displacement Damage in Si₁₋ₓGeₓ Alloys-Interaction of Primary Particles With the Material and Generation of the Damage Structure

Neutron Displacement Damage Cross Section in GaN: Numerical Evaluations and Differences With Si

Elementary Surface Chemistry during CuO/Al Nanolaminate-Thermite Synthesis: Copper and Oxygen Deposition on Aluminum (111) Surfaces

Dioxygen molecule adsorption and oxygen atom diffusion on clean and defective aluminum(111) surface using first principles calculations

Thermal Water Splitting on the WO3 Surface: Experimental Proof

A comprehensive atomistic picture of the as-deposited Ni-Si interface before thermal silicidation process

HCHO Sensing Mechanism of In 4 Sn 3 O 12 Revealed by DRIFTS and DFT

Activation–Relaxation Technique: An efficient way to find minima and saddle points of potential energy surfaces

Deep Levels and Electron Paramagnetic Resonance Parameters of Substitutional Nitrogen in Silicon from First Principles

Water Distribution within Wild-Type NRas Protein and Q61 Mutants during Unrestrained QM/MM Dynamics

Iterative Rotations and Assignments (IRA): A shape matching algorithm for atomic structures

Obituary - Dr. Fuccio Cristiano

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