List of works - Alessio Petrone

"Watching" Polaron Pair Formation from First-Principles Electron-Nuclear Dynamics.

scientific article published on 29 August 2016

Ab Initio Excited-State Transient Raman Analysis.

scientific article

Ab Initio Transient Vibrational Spectral Analysis

scientific article published on 31 October 2016

Ab-initio molecular dynamics and hybrid explicit-implicit solvation model for aqueous and nonaqueous solvents: GFP chromophore in water and methanol solution as case study

scientific article published on 08 August 2020

Absorption and Emission Spectral Shapes of a Prototype Dye in Water by Combining Classical/Dynamical and Quantum/Static Approaches

scientific article published on 10 March 2015

Carboxylate Anchors Act as Exciton Reporters in 1.3 nm Indium Phosphide Nanoclusters

scientific article published on 03 April 2019

Cover Image, Volume 41, Issue 26

scientific article published on 28 August 2020

Direct ab Initio (Meta-)Surface-Hopping Dynamics

scientific article published on 8 February 2016

Does Thermal Breathing Affect Collision Cross Sections of Gas-Phase Peptide Ions? An Ab Initio Molecular Dynamics Study.

scientific article published on 08 July 2016

Efficient Implementation of Variation after Projection Generalized Hartree-Fock.

scientific article

From charge-transfer to a charge-separated state: a perspective from the real-time TDDFT excitonic dynamics.

scientific article

High-pressure, high-temperature molecular doping of nanodiamond

scientific article published on 03 May 2019

Investigating the role of amine in InP nanocrystal synthesis: destabilizing cluster intermediates by Z-type ligand displacement.

scientific article

Mapping Vibronic Couplings in a Solar Cell Dye with Polarization-Selective Two-Dimensional Electronic-Vibrational Spectroscopy

article

Multiresolution continuous wavelet transform for studying coupled solute-solvent vibrations via ab initio molecular dynamics

scientific article published on 05 October 2020

On the Driving Force of the Excited-State Proton Shuttle in the Green Fluorescent Protein: A Time-Dependent Density Functional Theory (TD-DFT) Study of the Intrinsic Reaction Path.

scientific article

On the optical absorption of the anionic GFP chromophore in vacuum, solution, and protein.

scientific article published in November 2013

Single-Crystal and Electronic Structure of a 1.3 nm Indium Phosphide Nanocluster

scientific article published on 27 January 2016

The mechanism of a green fluorescent protein proton shuttle unveiled in the time-resolved frequency domain by excited state ab initio dynamics

scientific article published on 2 January 2018

Ultrafast photo-induced processes in complex environments: The role of accuracy in excited-state energy potentials and initial conditions

scientific article published in 2022

Understanding THz and IR signals beneath time-resolved fluorescence from excited-state ab initio dynamics

scientific article published on 10 October 2014

Vibrational analysis of x-ray absorption fine structure thermal factors by ab initio molecular dynamics: the Zn(II) ion in aqueous solution as a case study

scientific article published on 01 February 2011

List of works by Alessio Petrone

"Watching" Polaron Pair Formation from First-Principles Electron-Nuclear Dynamics.

Ab Initio Excited-State Transient Raman Analysis.

Ab Initio Transient Vibrational Spectral Analysis

Ab-initio molecular dynamics and hybrid explicit-implicit solvation model for aqueous and nonaqueous solvents: GFP chromophore in water and methanol solution as case study

Absorption and Emission Spectral Shapes of a Prototype Dye in Water by Combining Classical/Dynamical and Quantum/Static Approaches

Carboxylate Anchors Act as Exciton Reporters in 1.3 nm Indium Phosphide Nanoclusters

Cover Image, Volume 41, Issue 26

Direct ab Initio (Meta-)Surface-Hopping Dynamics

Does Thermal Breathing Affect Collision Cross Sections of Gas-Phase Peptide Ions? An Ab Initio Molecular Dynamics Study.

Efficient Implementation of Variation after Projection Generalized Hartree-Fock.

From charge-transfer to a charge-separated state: a perspective from the real-time TDDFT excitonic dynamics.

High-pressure, high-temperature molecular doping of nanodiamond

Investigating the role of amine in InP nanocrystal synthesis: destabilizing cluster intermediates by Z-type ligand displacement.

Mapping Vibronic Couplings in a Solar Cell Dye with Polarization-Selective Two-Dimensional Electronic-Vibrational Spectroscopy

Multiresolution continuous wavelet transform for studying coupled solute-solvent vibrations via ab initio molecular dynamics

On the Driving Force of the Excited-State Proton Shuttle in the Green Fluorescent Protein: A Time-Dependent Density Functional Theory (TD-DFT) Study of the Intrinsic Reaction Path.

On the optical absorption of the anionic GFP chromophore in vacuum, solution, and protein.

Single-Crystal and Electronic Structure of a 1.3 nm Indium Phosphide Nanocluster

The mechanism of a green fluorescent protein proton shuttle unveiled in the time-resolved frequency domain by excited state ab initio dynamics

Ultrafast photo-induced processes in complex environments: The role of accuracy in excited-state energy potentials and initial conditions

Understanding THz and IR signals beneath time-resolved fluorescence from excited-state ab initio dynamics

Vibrational analysis of x-ray absorption fine structure thermal factors by ab initio molecular dynamics: the Zn(II) ion in aqueous solution as a case study