World's Best Scientists 2026 revealed!
Massimo Olivucci

Massimo Olivucci

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Chemistry
Italy
2025

D-Index & Metrics

Chemistry

D-Index
83
Citations
23455
World Ranking
2961
National Ranking
50

Research.com Recognitions

  • 2025 - Research.com Chemistry in Italy Leader Award
  • 2022 - Research.com Chemistry in Italy Leader Award

Overview

Massimo Olivucci is affiliated with the University of Siena in Italy and conducts research primarily in the fields of neuroscience and physics and astronomy. Their work spans several subfields including cellular and molecular neuroscience, atomic and molecular physics and optics, materials chemistry, molecular biology, and cognitive neuroscience.

The scientist's research focuses on several key topics, notably photoreceptor and optogenetics research, spectroscopy and quantum chemical studies, neural dynamics and brain function, neuroscience and neuropharmacology research, photosynthetic processes and mechanisms, photochromic and fluorescence chemistry, as well as bioluminescence and chemiluminescence research.

Among Massimo Olivucci's recent scientific papers are:

  • Modern quantum chemistry with OpenMolcas, 2020, The Journal of Chemical Physics
  • The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry, 2023, Journal of Chemical Theory and Computation
  • Quantum-classical simulations of rhodopsin reveal excited-state population splitting and its effects on quantum efficiency, 2022, Nature Chemistry
  • Frontiers in Multiscale Modeling of Photoreceptor Proteins, 2020, Photochemistry and Photobiology
  • From a one-mode to a multi-mode understanding of conical intersection mediated ultrafast organic photochemical reactions, 2023, Chemical Society Reviews

Frequent co-authors collaborating with Olivucci include Marco Paolino, Jérémie Léonard, Andrea Cappelli, Laura Pedraza-González, and Xuchun Yang.

Massimo Olivucci has a substantial publication record in several key scientific venues. These include the Journal of Chemical Theory and Computation, The Journal of Physical Chemistry Letters, Nature Communications, The Cambridge Structural Database, and Chemical Science.

In addition to journal articles, Olivucci has contributed to book publications. One known contribution is to the book titled QM/MM Studies of Light-responsive Biological Systems, published by Springer Nature (Netherlands) in 2020.

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

  • OpenMolcas : From Source Code to Insight

    Ignacio Fernández Galván;Morgane Vacher;Ali Alavi;Celestino Angeli

  • Potential energy surface crossings in organic photochemistry

    Fernando Bernardi;Massimo Olivucci;Michael A. Robb

  • Modern quantum chemistry with [Open]Molcas

    Francesco Aquilante;Jochen Autschbach;Alberto Baiardi;Stefano Battaglia

  • 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

  • Origin, Nature and Fate of the Fluorescent State of the Green Fluorescent Protein Chromophore at the CASPT2//CASSCF resolution

    María Elena Martin;Fabrizia Negri;Massimo Olivucci

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

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

  • Ultrafast Decay of Electronically Excited Singlet Cytosine via a π,π* to nO,π* State Switch

    Nina Ismail;Lluis Blancafort;Massimo Olivucci;Bern Kohler

  • Photoactivation of the photoactive yellow protein: why photon absorption triggers a trans-to-cis Isomerization of the chromophore in the protein.

    Gerrit Groenhof;§ Mathieu Bouxin-Cademartory;Berk Hess;Sam P. de Visser

  • Tracking the excited-state time evolution of the visual pigment with multiconfigurational quantum chemistry.

    Luis Manuel Frutos;Tadeusz Andruniów;Fabrizio Santoro;Nicolas Ferré

  • An MC-SCF Study of the S1 and S2 Photochemical Reactions of Benzene

    Ian J. Palmer;Ioannis N. Ragazos;Fernando Bernardi;Massimo Olivucci

  • Theory and Simulation of the Ultrafast Double-Bond Isomerization of Biological Chromophores.

    Samer Gozem;Hoi Ling Luk;Igor Schapiro;Massimo Olivucci

  • Structure, initial excited-state relaxation, and energy storage of rhodopsin resolved at the multiconfigurational perturbation theory level.

    Tadeusz Andruniów;Nicolas Ferré;Massimo Olivucci

  • I - Computational Photochemistry

    Massimo Olivucci;Adalgisa Sinicropi

  • Ultrafast Radiationless Deactivation of Organic Dyes: Evidence for a Two-State Two-Mode Pathway in Polymethine Cyanines

    Adelaida Sanchez-Galvez;Patricia Hunt;Michael A. Robb;Massimo Olivucci

  • A conical intersection mechanism for the photochemistry of butadiene. A MC-SCF study

    Massimo Olivucci;Ioannis N. Ragazos;Fernando Bernardi;Michael A. Robb

  • Ab Initio Photoisomerization Dynamics of a Simple Retinal Chromophore Model

    Thom Vreven;Fernando Bernardi;Marco Garavelli;Massimo Olivucci

  • Shape of Multireference, Equation-of-Motion Coupled-Cluster, and Density Functional Theory Potential Energy Surfaces at a Conical Intersection.

    Samer Gozem;Federico Melaccio;Alessio Valentini;Alessio Valentini;Michael Filatov

  • The Azulene S1 State Decays via a Conical Intersection: A CASSCF Study with MMVB Dynamics

    Michael J. Bearpark;Fernando Bernardi;Simon Clifford;Massimo Olivucci

  • Optimization and characterization of the lowest energy point on a conical intersection using an MC-SCF Lagrangian

    Ioannis N. Ragazos;Michael A. Robb;Fernando Bernardi;Massimo Olivucci

  • A Computational Strategy for Organic Photochemistry

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

Frequent Co-Authors

Michael A. Robb
Michael A. Robb Imperial College London
Fernando Bernardi
Fernando Bernardi University of Bologna
Marco Garavelli
Marco Garavelli University of Bologna
Nicolas Ferré
Nicolas Ferré Aix-Marseille University
Roland Lindh
Roland Lindh Uppsala University
Thom Vreven
Thom Vreven Visterra (United States)
Werner M. Nau
Werner M. Nau Jacobs University
Fabrizio Santoro
Fabrizio Santoro National Research Council (CNR)
Loredana Latterini
Loredana Latterini University of Perugia
Hideki Kandori
Hideki Kandori Nagoya Institute of Technology

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