Publications by authors named "Matteo Barborini"

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Unraveling chemical bonding mechanisms through dipole moment variations under external electric fields.
Jorge Charry, Matteo Barborini, Alexandre Tkatchenko

Phys Chem Chem Phys· November 2025

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Reproducibility of fixed-node diffusion Monte Carlo across diverse community codes: The case of water-methane dimer.
Flaviano Della Pia, Benjamin X Shi, Yasmine S Al-Hamdani, Dario Alfé, Tyler A Anderson, Matteo Barborini

J Chem Phys· September 2025

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Molecule-Environment Embedding with Quantum Monte Carlo: Electrons Interacting with Drude Oscillators.
Matej Ditte, Matteo Barborini, Alexandre Tkatchenko

J Chem Theory Comput· May 2025

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Quantum Drude oscillators coupled with Coulomb potential as an efficient model for bonded and non-covalent interactions in atomic dimers.
Matej Ditte, Matteo Barborini, Alexandre Tkatchenko

J Chem Phys· March 2024

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Molecules in Environments: Toward Systematic Quantum Embedding of Electrons and Drude Oscillators.
Matej Ditte, Matteo Barborini, Leonardo Medrano Sandonas, Alexandre Tkatchenko

Phys Rev Lett· December 2023

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The three-center two-positron bond.
Jorge Charry, Félix Moncada, Matteo Barborini, Laura Pedraza-González, Márcio T do N Varella

Chem Sci· November 2022

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Correlated Wave Functions for Electron-Positron Interactions in Atoms and Molecules.
Jorge Alfonso Charry Martinez, Matteo Barborini, Alexandre Tkatchenko

J Chem Theory Comput· April 2022

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TurboRVB: A many-body toolkit for ab initio electronic simulations by quantum Monte Carlo.
Kousuke Nakano, Claudio Attaccalite, Matteo Barborini, Luca Capriotti, Michele Casula

J Chem Phys· May 2020

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Angle-resolved photoemission spectroscopy from first-principles quantum Monte Carlo.
Matteo Barborini, Sandro Sorella, Massimo Rontani, Stefano Corni

J Chem Phys· October 2018

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Carbon nanotubes as excitonic insulators.
Daniele Varsano, Sandro Sorella, Davide Sangalli, Matteo Barborini, Stefano Corni

Nat Commun· November 2017

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Role of Electron Correlation along the Water Splitting Reaction.
Shibing Chu, Emanuele Coccia, Matteo Barborini, Leonardo Guidoni

J Chem Theory Comput· December 2016

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Correlation Effects in Scanning Tunneling Microscopy Images of Molecules Revealed by Quantum Monte Carlo.
Matteo Barborini, Sandro Sorella, Massimo Rontani, Stefano Corni

J Chem Theory Comput· November 2016

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Geometries of low spin states of multi-centre transition metal complexes through extended broken symmetry variational Monte Carlo.
Matteo Barborini, Leonardo Guidoni

J Chem Phys· September 2016

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Neutral, Anionic, and Cationic Manganese Dimers through Density Functional Theory.
Matteo Barborini

J Phys Chem A· March 2016

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Investigating Disjoint Non-Kekulé Diradicals with Quantum Monte Carlo: The Tetramethyleneethane Molecule through the Jastrow Antisymmetrized Geminal Power Wave Function.
Matteo Barborini, Emanuele Coccia

J Chem Theory Comput· December 2015

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Ground State Geometries of Polyacetylene Chains from Many-Particle Quantum Mechanics.
Matteo Barborini, Leonardo Guidoni

J Chem Theory Comput· September 2015

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Ï€-Conjugation in trans-1,3-butadiene: static and dynamical electronic correlations described through quantum Monte Carlo.
Matteo Barborini, Leonardo Guidoni

J Chem Theory Comput· February 2015

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Kohn-Sham orbitals and potentials from quantum Monte Carlo molecular densities.
Daniele Varsano, Matteo Barborini, Leonardo Guidoni

J Chem Phys· February 2014

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Reaction pathways by quantum Monte Carlo: insight on the torsion barrier of 1,3-butadiene, and the conrotatory ring opening of cyclobutene.
Matteo Barborini, Leonardo Guidoni

J Chem Phys· December 2012

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Molecular Electrical Properties from Quantum Monte Carlo Calculations: Application to Ethyne.
Emanuele Coccia, Olga Chernomor, Matteo Barborini, Sandro Sorella, Leonardo Guidoni

J Chem Theory Comput· June 2012

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Structural Optimization by Quantum Monte Carlo: Investigating the Low-Lying Excited States of Ethylene.
Matteo Barborini, Sandro Sorella, Leonardo Guidoni

J Chem Theory Comput· April 2012

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