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Marco Garavelli

Marco Garavelli

D-Index & Metrics

Chemistry

D-Index
61
Citations
15086
World Ranking
9162
National Ranking
260

Overview

Marco Garavelli is affiliated with the University of Bologna in Italy. Their research spans multiple areas within physics, chemistry, and molecular sciences, contributing extensively to the fields of Physics and Astronomy as well as Materials Science.

Their research focuses on a range of specialized topics, including:

  • Spectroscopy and Quantum Chemical Studies
  • Advanced Chemical Physics Studies
  • Photoreceptor and optogenetics research
  • X-ray Diffraction in Crystallography
  • Crystallization and Solubility Studies
  • Photochemistry and Electron Transfer Studies
  • DNA and Nucleic Acid Chemistry

These interests align with subfields such as Atomic and Molecular Physics, and Optics, Materials Chemistry, Molecular Biology, Cellular and Molecular Neuroscience, and Spectroscopy.

Marco Garavelli has authored papers in various respected publication venues, where their contributions frequently appear. These venues include:

  • The Cambridge Structural Database
  • Journal of Chemical Theory and Computation
  • The Journal of Physical Chemistry Letters
  • The Journal of Chemical Physics
  • Nature Communications

Recent representative papers by Garavelli include:

  • "Modern quantum chemistry with [Open]Molcas" (2020) published in The Journal of Chemical Physics
  • "The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry" (2023) in Journal of Chemical Theory and Computation
  • "Tracking excited state decay mechanisms of pyrimidine nucleosides in real time" (2021) in Nature Communications
  • "Ultrafast Spectroscopy of Photoactive Molecular Systems from First Principles: Where We Stand Today and Where We Are Going" (2020) in Journal of the American Chemical Society
  • "Spectral Tuning and Photoisomerization Efficiency in Push-Pull Azobenzenes: Designing Principles" (2020) in The Journal of Physical Chemistry A

Frequent co-authors in their research collaborations include Artur Nenov, Ivan Rivalta, Irene Conti, Shaul Mukamel, and Francesco Calcagno.

Best Publications

  • Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table.

    Francesco Aquilante;Jochen Autschbach;Rebecca K. Carlson;Liviu F. Chibotaru

  • Conical intersection dynamics of the primary photoisomerization event in vision

    Dario Polli;Piero Altoè;Oliver Weingart;Katelyn Marie Spillane

  • On the Mechanism of the cis−trans Isomerization in the Lowest Electronic States of Azobenzene: S0, S1, and T1

    Alessandro Cembran;Fernando Bernardi;Marco Garavelli;Laura Gagliardi

  • Modern quantum chemistry with [Open]Molcas

    Francesco Aquilante;Jochen Autschbach;Alberto Baiardi;Stefano Battaglia

  • Ultrafast Spectroscopy: State of the Art and Open Challenges.

    Margherita Maiuri;Marco Garavelli;Giulio Cerullo

  • Computational evidence in favor of a two-state, two-mode model of the retinal chromophore photoisomerization

    Remedios González-Luque;Marco Garavelli;Fernando Bernardi;Manuela Merchán

  • The C5H6NH2+ Protonated Shiff Base: An ab Initio Minimal Model for Retinal Photoisomerization

    M. Garavelli;P. Celani;F. Bernardi;M. A. Robb

  • The Different Photoisomerization Efficiency of Azobenzene in the Lowest nπ* and ππ* Singlets: The Role of a Phantom State

    Irene Conti;Marco Garavelli;Giorgio Orlandi

  • Ab Initio Photoisomerization Dynamics of a Simple Retinal Chromophore Model

    Thom Vreven;Fernando Bernardi;Marco Garavelli;Massimo Olivucci

  • A Computational Strategy for Organic Photochemistry

    Michael A. Robb;Marco Garavelli;Massimo Olivucci;Fernando Bernardi

  • Can Diarylethene Photochromism Be Explained by a Reaction Path Alone? A CASSCF Study with Model MMVB Dynamics

    Martial Boggio-Pasqua;Marcella Ravaglia;Michael J. Bearpark;Marco Garavelli

  • Photoisomerization Path for a Realistic Retinal Chromophore Model: The Nonatetraeniminium Cation

    Marco Garavelli;Thom Vreven;Paolo Celani;Fernando Bernardi

  • Reaction Path of a sub-200 fs Photochemical Electrocyclic Reaction

    M. Garavelli;C. S. Page;P. Celani;Massimo Olivucci

  • Relaxation Paths from a Conical Intersection: The Mechanism of Product Formation in the Cyclohexadiene/Hexatriene Photochemical Interconversion

    Marco Garavelli;Paolo Celani;Monica Fato;Michael J. Bearpark

  • A global investigation of excited state surfaces within time-dependent density-functional response theory.

    M. Wanko;M. Garavelli;F. Bernardi;Thomas A. Niehaus

  • A theoretical study of the lowest electronic states of azobenzene: the role of torsion coordinate in the cis–trans photoisomerization

    Laura Gagliardi;Giorgio Orlandi;Fernando Bernardi;Alessandro Cembran

  • Potential-energy surfaces for ultrafast photochemistry Static and dynamic aspects

    Marco Garavelli;Fernando Bernardi;Massimo Olivucci;Thom Vreven

  • Solvent effects on the vibrational activity and photodynamics of the green fluorescent protein chromophore : A quantum-chemical study

    Piero Altoe;Fernando Bernardi;Marco Garavelli;Giorgio Orlandi

  • Triplet pathways in diarylethene photochromism: photophysical and computational study of dyads containing ruthenium(II) polypyridine and 1,2-bis(2-methylbenzothiophene-3-yl)maleimide units.

    Maria Teresa Indelli;Stefano Carli;Marco Ghirotti;Claudio Chiorboli

  • Geometry optimisation on a hypersphere. Application to finding reaction paths from a conical intersection

    Paolo Celani;Michael A. Robb;Marco Garavelli;Fernando Bernardi

Frequent Co-Authors

Massimo Olivucci
Massimo Olivucci University of Siena
Fernando Bernardi
Fernando Bernardi University of Bologna
Giulio Cerullo
Giulio Cerullo Polytechnic University of Milan
Shaul Mukamel
Shaul Mukamel University of California, Irvine
Michael A. Robb
Michael A. Robb Imperial College London
Giorgio Orlandi
Giorgio Orlandi University of Bologna
Manuela Merchán
Manuela Merchán University of Valencia
Philipp Kukura
Philipp Kukura University of Oxford
Richard A. Mathies
Richard A. Mathies University of California, Berkeley
Gianluigi Zavattaro
Gianluigi Zavattaro University of Bologna

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