Michele Ceotto

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Associate Professor

Università degli Studi di Torino

Italy

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About

Michele Ceotto is an Associate Professor at Università degli Studi di Milano, Italy. His research focuses on theoretical and computational chemistry, particularly in the areas of vibrational spectroscopy, tunneling phenomena, and quantum dynamics in molecular systems. Recent publications include studies on nonadiabatic tunneling and semiclassical approaches to molecular interactions.

Recent Grants

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ERC Consolidator SEMICOMPLEX

Open Date: 2015-11-01

Close Date: 2022-04-01

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Collaborators (4)

Benedetta Mennucci

Professor

University of Pisa

ITALY

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Lucia Silvestrini

Contract Lecturer

Vita-Salute San Raffaele University

ITALY

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Riccardo Conte

Assistant Professor of Theoretical Chemistry

Università degli Studi di Torino

ITALY

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Lorenzo Mino

University of Turin

ITALY

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Michele Ceotto

Research Interests

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About

Recent Grants

Articles (24)

Semiclassical description of nuclear quantum effects in solvated and condensed phase molecular systems

Theory of tunneling splitting in symmetric double well systems: Equivalence of the two-state approximation and the Herring formula

An extended semiclassical initial value representation approach to IR spectroscopy

A time averaged semiclassical approach to the computation of nonadiabatic vibronic absorption spectra

Theory of Nonadiabatic Tunneling Splitting

Modified vibrational perturbation theory as applied to the collinear H + H2 and D + H2 reactions

Exact factorization method for bound vibrational states: An analytical tool for accurate approximations

A Perspective on the Investigation of Spectroscopy and Kinetics of Complex Molecular Systems with Semiclassical Approaches

A time averaged semiclassical approach to IR spectroscopy

Unraveling Water Solvation Effects with Quantum Mechanics/Molecular Mechanics Semiclassical Vibrational Spectroscopy: The Case of Thymidine

Is Quantum Above-Barrier Reflection Important for Molecular Barrier Crossing Rates?

The Fate of the Formic Acid Proton on the Anatase TiO2(101) Surface

The Fate of the Formic Acid Proton on the Anatase TiO2(101) Surface

Anharmonic Assignment of the Water Octamer Spectrum in the OH Stretch Region

Oxygen vacancies in the Spotlight: On the engineering of intrinsic defects in highly defective TiO2 photocatalysts

Molecular Dynamics of Artificially Pair-Decoupled Systems: An Accurate Tool for Investigating the Importance of Intramolecular Couplings

Elucidating NOx Surface Chemistry at the Anatase (101) Surface in TiO2 Nanoparticles

Investigating the Spectroscopy of the Gas Phase Guanine–Cytosine Pair: Keto versus Enol Configurations

Quantum Anharmonic Calculations of Vibrational Spectra for Water Adsorbed on Titania Anatase(101) Surface: Dissociative versus Molecular Adsorption

Quantum Vibrational Spectroscopy of Explicitly Solvated Thymidine in Semiclassical Approximation

Heavy Atom Tunneling in Organic Reactions at Coupled Cluster Potential Accuracy with a Parallel Implementation of Anharmonic Constant Calculations and Semiclassical Transition State Theory

Zwitter Ionization of Glycine at Outer Space Conditions due to Microhydration by Six Water Molecules

On-the-fly adiabatically switched semiclassical initial value representation molecular dynamics for vibrational spectroscopy of biomolecules

Unsupervised Machine Learning Neural Gas Algorithm for Accurate Evaluations of the Hessian Matrix in Molecular Dynamics

Collaborators (4)

Benedetta Mennucci

Lucia Silvestrini

Riccardo Conte

Lorenzo Mino

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