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List of works by Stefano Corni

A classical picture of subnanometer junctions: an atomistic Drude approach to nanoplasmonics

scientific article published on 01 March 2019

A dynamical approach to non-adiabatic electron transfers at the bio-inorganic interface.

scientific article published on 31 March 2016

A dynamical coarse-grained model to disclose allosteric control of misfolding β2-microglobulin

scholarly article in RSC Advances, vol. 6 no. 95, 2016

A few key residues determine the high redox potential shift in azurin mutants.

scientific article published on 18 September 2015

A polarizable continuum model for molecules at diffuse interfaces.

scientific article published in February 2004

Adsorption Mechanisms of Nucleobases on the Hydrated Au(111) Surface

scientific article published on 17 May 2018

Adsorption and Motion of Single Molecular Motors on TiO 2 (110)

scientific article published on 30 October 2020

An open quantum system theory for polarizable continuum models

scientific article published on 01 May 2020

Angle-resolved photoemission spectroscopy from first-principles quantum Monte Carlo

article

Can small hydrophobic gold nanoparticles inhibit β2-microglobulin fibrillation?

scientific article published on 01 July 2014

Can we control the electronic energy transfer in molecular dyads through metal nanoparticles? A QM/continuum investigation

scientific article

Carbon nanotubes as excitonic insulators

scientific article published on 13 November 2017

Citrate-stabilized gold nanoparticles hinder fibrillogenesis of a pathological variant of β2-microglobulin.

scientific article published on 7 March 2017

Correlation Effects in Scanning Tunneling Microscopy Images of Molecules Revealed by Quantum Monte Carlo

scientific article published on 21 October 2016

Cytochrome C on a gold surface: investigating structural relaxations and their role in protein–surface electron transfer by molecular dynamics simulations

scientific article published on 15 March 2013

Density-Dependent Formulation of Dispersion-Repulsion Interactions in Hybrid Multiscale Quantum/Molecular Mechanics (QM/MM) Models.

scientific article published on 13 February 2018

Direct monitoring of opto-mechanical switching of self-assembled monolayer films containing the azobenzene group.

scientific article published on 20 December 2011

Distance-Based Configurational Entropy of Proteins from Molecular Dynamics Simulations

scientific article

Docking of Ubiquitin to Gold Nanoparticles

scientific article published on 10 October 2012

Dynamical treatment of charge transfer through duplex nucleic acids containing modified adenines.

scientific article published on 30 September 2013

Electronic Coupling Between Azurin and Gold at Different Protein/Substrate Orientations

scientific article published on 01 August 2007

Electronic excitation energies of molecules in solution within continuum solvation models: Investigating the discrepancy between state-specific and linear-response methods

article

Electronic excitation energies of molecules in solution: State specific and linear response methods for nonequilibrium continuum solvation models

article

Enthalpy-Entropy Tuning in the Adsorption of Nucleobases at the Au(111) Surface

scientific article published in April 2014

Equation of motion for the solvent polarization apparent charges in the polarizable continuum model: Application to time-dependent CI. ⬇️

scientific article published in February 2017

Equation of motion for the solvent polarization apparent charges in the polarizable continuum model: application to real-time TDDFT.

scientific article published on 23 December 2014

Erratum: “Excitation energy-transfer in functionalized nanoparticles: Going beyond the Förster approach” [J. Chem. Phys. 144, 074101 (2016)]

scientific article published on 01 August 2016

Evidence of a Thermodynamic Ramp for Hole Hopping to Protect a Redox Enzyme from Oxidative Damage

scientific article published on 15 March 2019

Excitation energy-transfer in functionalized nanoparticles: Going beyond the Förster approach

scientific article published on 01 February 2016

Exploring the Spatial Features of Electronic Transitions in Molecular and Biomolecular Systems by Swift Electrons

scientific article published on 01 March 2021

Extending the essential dynamics analysis to investigate molecular properties: application to the redox potential of proteins.

scientific article published on 24 June 2016

Facet selectivity in gold binding peptides: exploiting interfacial water structure

scientific article published on 23 June 2015

Fibrillation-prone conformations of the amyloid-β-42 peptide at the gold/water interface.

scientific article

First principle evaluation of the chiroptical activity of the di-phenyl-diazene derivatives

scientific article published on 01 September 2012

First principles effective electronic couplings for hole transfer in natural and size-expanded DNA.

scientific article published on July 2009

First-principles density-functional theory calculations of electron-transfer rates in azurin dimers.

scientific article published in February 2006

Fluorescence Enhancement of Chromophores Close to Metal Nanoparticles. Optimal Setup Revealed by the Polarizable Continuum Model

article

Formation and relaxation of excited states in solution: a new time dependent polarizable continuum model based on time dependent density functional theory.

scientific article published in March 2006

GolP-CHARMM: First-Principles Based Force Fields for the Interaction of Proteins with Au(111) and Au(100).

scientific article published on 13 February 2013

GolP: An atomistic force-field to describe the interaction of proteins with Au(111) surfaces in water

scientific article published on 01 July 2009

How To Identify Plasmons from the Optical Response of Nanostructures.

scientific article published on 26 June 2017

How the dynamics of the metal-binding loop region controls the acid transition in cupredoxins.

scientific article

Hybrid theoretical models for molecular nanoplasmonics

scientific article published on 01 November 2020

Hydroxyl-Rich β-Sheet Adhesion to the Gold Surface in Water by First-Principle Simulations

scientific article published on 01 April 2010

Including image charge effects in the molecular dynamics simulations of molecules on metal surfaces

scientific article published in July 2008

Influence of size, shape and core-shell interface on surface plasmon resonance in Ag and Ag@MgO nanoparticle films deposited on Si/SiO x.

scientific article published on 9 February 2015

Infrared linear dichroism in stretched films: Quantum mechanical approach within the polarizable continuum model

article

Interaction of Amino Acids with the Au(111) Surface: Adsorption Free Energies from Molecular Dynamics Simulations

scientific article published on 01 June 2010

Interaction of β-Sheet Folds with a Gold Surface ⬇️

scientific article published on June 7, 2011

Interplay between Intra- and Intermolecular Charge Transfer in the Optical Excitations of J-Aggregates

scientific article published on 25 February 2019

Investigating ultrafast two-pulse experiments on single DNQDI fluorophores: a stochastic quantum approach

scientific article published on 13 July 2020

Light-Induced Field Enhancement in Nanoscale Systems from First-Principles: The Case of Polyacenes

Load-induced confinement activates diamond lubrication by water.

scientific article published on 2 October 2013

Modeling and simulation of protein-surface interactions: achievements and challenges

scientific article published on January 2016

Modeling opto-electronic properties of a dye molecule in proximity of a semiconductor nanoparticle.

scientific article published in July 2013

Modeling solvation effects in real-space and real-time within density functional approaches ⬇️

scientific article published on 01 October 2015

Molecular properties in solution described with a continuum solvation model

article

Non-linear optical response by functionalized gold nanospheres: identifying design principles to maximize the molecular photo-release

scientific article published on 4 August 2015

Nonequilibrium Solvent Polarization Effects in Real-Time Electronic Dynamics of Solute Molecules Subject to Time-Dependent Electric Fields: A New Feature of the Polarizable Continuum Model.

scientific article

Nonequilibrium formulation of infrared frequencies and intensities in solution: Analytical evaluation within the polarizable continuum model

article

Nonplasmonic Metal Particles as Excitation Energy Transfer Acceptors: an Unexpected Efficiency Revealed by Quantum Mechanics

scholarly article by Aurora Muñoz-Losa et al published 25 August 2009 in Journal of Physical Chemistry C

Optical Excitations and Field Enhancement in Short Graphene Nanoribbons

scientific article published on 16 March 2012

Peptide Synthesis of Gold Nanoparticles: The Early Steps of Gold Reduction Investigated by Density Functional Theory

scientific article published on 14 February 2011

Photochemistry in the strong coupling regime: A trajectory surface hopping scheme

scientific article published on 01 July 2020

Plasmon-controlled light-harvesting: design rules for biohybrid devices via multiscale modeling

scientific article published on 30 August 2013

Predicting signatures of anisotropic resonance energy transfer in dye-functionalized nanoparticles

scientific article published on 25 October 2016

ProMetCS: An Atomistic Force Field for Modeling Protein-Metal Surface Interactions in a Continuum Aqueous Solvent

scientific article published on 16 April 2010

Probing quantum coherence in ultrafast molecular processes: An ab initio approach to open quantum systems

scientific article published on 28 May 2018

Probing the influence of citrate-capped gold nanoparticles on an amyloidogenic protein

scientific article published on 4 March 2015

Properties and Spectroscopies

Proposed Alteration of Images of Molecular Orbitals Obtained Using a Scanning Tunneling Microscope as a Probe of Electron Correlation

scientific article published on 03 January 2013

Proteinâ surface interactions: challenging experiments and computations

scientific article published on 01 May 2010

Quantifying the Plasmonic Character of Optical Excitations in Nanostructures

Quantifying the Plasmonic Character of Optical Excitations in a Molecular J-Aggregate

scientific article published on 26 April 2019

Quantum Mechanical Approach to Solvent Effects on the Optical Properties of Metal Nanoparticles and Their Efficiency As Excitation Energy Transfer Acceptors

article published in 2010

Quantum optimal control theory for solvated systems

scientific article published on 01 November 2019

Radiative and nonradiative decay rates of a molecule close to a metal particle of complex shape

scientific article published in November 2004

Real-Time Description of the Electronic Dynamics for a Molecule Close to a Plasmonic Nanoparticle ⬇️

scientific article

Real-time dynamics of plasmonic resonances in nanoparticles described by a boundary element method with generic dielectric function

scientific article published on 01 November 2020

Reply to "Molecular mechanics models for the image charge".

scientific article

Retention of nativelike conformation by proteins embedded in high external electric fields

scientific article published on 01 May 2005

Role of Organic Ligands Orientation on the Geometrical and Optical Properties of Au25(SCH3)180

scientific article published on 21 August 2018

Role of coherence in the plasmonic control of molecular absorption

scientific article published on 01 July 2019

Role of the electronic properties of azurin active site in the electron-transfer process

Self-assembly of mono- and bidentate oligoarylene thiols onto polycrystalline Au

scientific article published on 18 October 2013

Self-consistent quantum mechanical model for the description of excitation energy transfers in molecules at interfaces

scientific article published in August 2006

Semiempirical (ZINDO-PCM) Approach to Predict the Radiative and Nonradiative Decay Rates of a Molecule Close to Metal Particles

scientific article published on 01 August 2006

Shaping excitons in light-harvesting proteins through nanoplasmonics

scientific article published on 19 June 2018

Simulation of Protein–Surface Interactions by a Coarse-Grained Method

Single-molecule folding mechanism of an EF-hand neuronal calcium sensor

article by Pétur O Heidarsson et al published 8 October 2013 in Structure

Structural properties of azobenzene self-assembled monolayers by atomistic simulations

scientific article published on 8 August 2013

Surface Packing Determines the Redox Potential Shift of Cytochrome c Adsorbed on Gold

scientific article published on 03 September 2014

Surface-Enhanced Fluorescence within a Metal Nanoparticle Array: The Role of Solvent and Plasmon Couplings

The Active Site Loop Modulates the Reorganization Energy of Blue Copper Proteins by Controlling the Dynamic Interplay with Solvent

scientific article published on 12 February 2013

The Reorganization Energy of Azurin in Bulk Solution and in the Electrochemical Scanning Tunneling Microscopy Setup

scientific article published on 01 March 2005

The Reversible Opening of Water Channels in Cytochrome c Modulates the Heme Iron Reduction Potential

scientific article published on 09 August 2012

The cavity electromagnetic field within the polarizable continuum model of solvation.

scientific article

The interaction with gold suppresses fiber-like conformations of the amyloid β (16–22) peptide

scientific article published on 01 April 2016

The structure of neuronal calcium sensor-1 in solution revealed by molecular dynamics simulations

scientific article

Time-Resolved Excited-State Analysis of Molecular Electron Dynamics by TDDFT and Bethe–Salpeter Equation Formalisms

scientific article published on 06 September 2021

Tip-Enhanced Infrared Difference-Nanospectroscopy of the Proton Pump Activity of Bacteriorhodopsin in Single Purple Membrane Patches

scientific article published on 17 April 2019

Unravelling single metalloprotein electron transfer by scanning probe techniques.

scientific article

Vibrational Circular Dichroism within the Polarizable Continuum Model: A Theoretical Evidence of Conformation Effects and Hydrogen Bonding for (S)-(−)-3-Butyn-2-ol in CCl4Solution

article

Visualizing electron correlation by means of ab initio scanning tunneling spectroscopy images of single molecules

scientific article published on 01 January 2011

Water Effects on Electron Transfer in Azurin Dimers

scientific article published on 01 November 2006

Water-Mediated Electron Transfer between Protein Redox Centers

scientific article published on 21 March 2007

Wettability of azobenzene self-assembled monolayers

scientific article published on 9 April 2014

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